(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid

C10H14N2O2 — CID 130771167

IUPAC(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
SMILESCc1ccnc([C@@](C)(N)CC(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-7-3-4-12-8(5-7)10(2,11)6-9(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyCBRGRUAUNCUQRV-JTQLQIEISA-N
MW194.23 g/mol
LogP1.04
Rot. Bonds3

About (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid

(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid (PubChem CID 130771167) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
PubChem CID130771167
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
SMILESCc1ccnc([C@@](C)(N)CC(=O)O)c1
InChIInChI=1S/C10H14N2O2/c1-7-3-4-12-8(5-7)10(2,11)6-9(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyCBRGRUAUNCUQRV-JTQLQIEISA-N
XLogP1.04
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
3-amino-3-(5-methyl-2-pyridinyl)butanoic acid
CID 55298060
3-amino-3-(2-amino-4-pyridinyl)butanoic acid
CID 55268845
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
CID 55271549
(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
CID 55270877
(3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid
CID 130624743
2,2-difluoro-2-(4-methyl-2-pyridinyl)ethanamine
CID 130018780
3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836401
(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid
CID 55268755
(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid
CID 55295835
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid?
The IUPAC name of (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid (CID 130771167) is (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid?
The canonical SMILES for (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid is Cc1ccnc([C@@](C)(N)CC(=O)O)c1.
What is the InChIKey of (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid?
The InChIKey is CBRGRUAUNCUQRV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-3-4-12-8(5-7)10(2,11)6-9(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid?
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid is sourced from PubChem (CID 130771167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).