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

C10H14N2O2 — CID 130624743

IUPAC(3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid
SMILESCc1cccnc1[C@@](C)(N)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-4-3-5-12-9(7)10(2,11)6-8(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyYPMYZWPOQICFDL-JTQLQIEISA-N
MW194.23 g/mol
LogP1.04
Rot. Bonds3

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

(3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid (PubChem CID 130624743) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid
PubChem CID130624743
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid
SMILESCc1cccnc1[C@@](C)(N)CC(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-4-3-5-12-9(7)10(2,11)6-8(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyYPMYZWPOQICFDL-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

(3S)-3-amino-3-(3-hydroxy-2-pyridinyl)butanoic acid
CID 55268755
3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
3-amino-3-(5-methyl-2-pyridinyl)butanoic acid
CID 55298060
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
3-amino-3-(2-amino-4-pyridinyl)butanoic acid
CID 55268845
3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
CID 55271549
(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
CID 55270877
4-methoxy-3-methyl-3-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 120532284
2-(3-methyl-2-pyridinyl)but-3-yn-2-ol
CID 86693091
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
(2S)-2-amino-2-(3-fluoro-2-pyridinyl)propan-1-ol
CID 55276302

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid?
The IUPAC name of (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid (CID 130624743) is (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid?
The canonical SMILES for (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid is Cc1cccnc1[C@@](C)(N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid?
The InChIKey is YPMYZWPOQICFDL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-4-3-5-12-9(7)10(2,11)6-8(13)14/h3-5H,6,11H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-(3-methyl-2-pyridinyl)butanoic acid?
(3S)-3-amino-3-(3-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-(3-methyl-2-pyridinyl)butanoic acid is sourced from PubChem (CID 130624743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).