(3R)-4-amino-3-methylbutanoic acid

C5H11NO2 — CID 6604938

IUPAC(3R)-4-amino-3-methylbutanoic acid
SMILESC[C@@H](CN)CC(=O)O
InChIInChI=1S/C5H11NO2/c1-4(3-6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyCZGLBWZXGIAIBU-SCSAIBSYSA-N
MW117.15 g/mol
LogP0.06
Rot. Bonds3

About (3R)-4-amino-3-methylbutanoic acid

(3R)-4-amino-3-methylbutanoic acid (PubChem CID 6604938) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3R)-4-amino-3-methylbutanoic acid.

Molecular Properties

Compound Name(3R)-4-amino-3-methylbutanoic acid
PubChem CID6604938
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3R)-4-amino-3-methylbutanoic acid
SMILESC[C@@H](CN)CC(=O)O
InChIInChI=1S/C5H11NO2/c1-4(3-6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyCZGLBWZXGIAIBU-SCSAIBSYSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Amino-3,3-dimethylbutanoic acid hydrochloride
CID 14435435
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
(R)-2-(Aminomethyl)-3-methylbutanoic acid
CID 11018900
4-Amino(~2~H_6_)butanoic acid
CID 12405755
2-(Aminomethyl)butanoic acid hydrochloride
CID 50988199
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
(3R)-3-(aminomethyl)-4,4,4-trifluorobutanoic acid
CID 96739926
4-Amino-3-(methoxymethyl)butanoic acid
CID 145961114

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-3-methylbutanoic acid?
The IUPAC name of (3R)-4-amino-3-methylbutanoic acid (CID 6604938) is (3R)-4-amino-3-methylbutanoic acid.
What is the SMILES notation for (3R)-4-amino-3-methylbutanoic acid?
The canonical SMILES for (3R)-4-amino-3-methylbutanoic acid is C[C@@H](CN)CC(=O)O.
What is the InChIKey of (3R)-4-amino-3-methylbutanoic acid?
The InChIKey is CZGLBWZXGIAIBU-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(3-6)2-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (3R)-4-amino-3-methylbutanoic acid?
(3R)-4-amino-3-methylbutanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-3-methylbutanoic acid is sourced from PubChem (CID 6604938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).