L-Isovaline 1g

CAT: 0628-A23329-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23329-1000Size:1000 mg

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CAS Number

595-40-4

Chemical Information

Isovaline

RN given refers to parent cpd(L)-isomer

CAS Number	595-40-4
PubChem CID	94744
IUPAC Name	2-amino-2-methylbutanoic acid
Molecular Formula	C5H11NO2
Molecular Weight	117.15
XLogP	-2.3
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

CCC(C)(C(=O)O)N

InChI

InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)

InChIKey

GCHPUFAZSONQIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 595-40-4

CID: 94744

Formula: C5H11NO2

MW: 117.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.15
XLogP3	-2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	117.078978594
Monoisotopic Mass	117.078978594
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes