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Formiminoglutamic acid

CAT: 0127-BUP13923-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13923-01Size:5 mg
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CAS Number
816-90-0
Synonyms
NSC334078, NSC 334078, NSC-334078, FIGLU
Purity
=98%
Smiles
[C@@H](CCC(O)=O)(NC=N)C(O)=O

Chemical Information

Formimino-L-glutamic acid

N-formimidoyl-L-glutamic acid is the N-formimidoyl derivative of L-glutamic acid. It is a dicarboxylic acid and a L-glutamic acid derivative. It is a conjugate acid of a N-formimidoyl-L-glutamate(2-) and a N-formimidoyl-L-glutamate(1-).

CAS Number816-90-0
PubChem CID439233
IUPAC Name(2S)-2-(aminomethylideneamino)pentanedioic acid
Molecular FormulaC6H10N2O4
Molecular Weight174.15
XLogP-1.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity202
SMILES
C(CC(=O)O)[C@@H](C(=O)O)N=CN
InChI
InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/t4-/m0/s1
InChIKey
NRXIKWMTVXPVEF-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of Formimino-L-glutamic acid
CAS: 816-90-0
CID: 439233
Formula: C6H10N2O4
MW: 174.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.15
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass174.06405680
Monoisotopic Mass174.06405680
Topological Polar Surface Area113 Ų
Heavy Atom Count12
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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