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Hydantoic Acid (N-Carboxymethylurea)

CAT: 1596-AR-U01094-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01094-01Size:10 Units
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CAS Number
462-60-2
Synonyms
2-ureidoacetic acid
Molecular Formula
C3H6N2O3
Molecular Weight
118.09
API Name
Urea

Chemical Information

Hydantoic acid

N-carbamoylglycine is a member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine. It has a role as a xenobiotic metabolite and a rat metabolite. It is a N-acylglycine, a monocarboxylic acid and a member of ureas. It is functionally related to a glycine. It is a conjugate acid of a N-carbamoylglycinate.

CAS Number462-60-2
PubChem CID10020
IUPAC Name2-(carbamoylamino)acetic acid
Molecular FormulaC3H6N2O3
Molecular Weight118.09
XLogP-1.4
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity111
SMILES
C(C(=O)O)NC(=O)N
InChI
InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
InChIKey
KZVRXPPUJQRGFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydantoic acid
CAS: 462-60-2
CID: 10020
Formula: C3H6N2O3
MW: 118.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight118.09
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass118.03784206
Monoisotopic Mass118.03784206
Topological Polar Surface Area92.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity111
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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