(2S)-2-amino-2-methylbutanoic acid

C5H11NO2 — CID 6971276

IUPAC(2S)-2-amino-2-methylbutanoic acid
SMILESCC[C@](C)(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKeyGCHPUFAZSONQIV-YFKPBYRVSA-N
MW117.15 g/mol
LogP0.20
Rot. Bonds2

About (2S)-2-amino-2-methylbutanoic acid

(2S)-2-amino-2-methylbutanoic acid (PubChem CID 6971276) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S)-2-amino-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methylbutanoic acid
PubChem CID6971276
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S)-2-amino-2-methylbutanoic acid
SMILESCC[C@](C)(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKeyGCHPUFAZSONQIV-YFKPBYRVSA-N
XLogP0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
CID 175752113
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
2-(15N)azanyl-2-methylbutanamide
CID 10844374
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
CID 87211555
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2-[(2-amino-2-methylbutanoyl)-ethylamino]-2-methylpropanoic acid
CID 79811560
2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
4-amino-2,4-dimethylhexan-3-one
CID 116590206

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-2-methylbutanoic acid (CID 6971276) is (2S)-2-amino-2-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-2-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-2-methylbutanoic acid is CC[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methylbutanoic acid?
The InChIKey is GCHPUFAZSONQIV-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-methylbutanoic acid?
(2S)-2-amino-2-methylbutanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methylbutanoic acid is sourced from PubChem (CID 6971276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).