(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid

C10H14N2O2 — CID 59166574

IUPAC(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
SMILESCC(C)[C@H](Nc1cccnc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(2)9(10(13)14)12-8-4-3-5-11-6-8/h3-7,9,12H,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyVTAWWVOYSQUFLT-VIFPVBQESA-N
MW194.23 g/mol
LogP1.60
Rot. Bonds4

About (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid

(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid (PubChem CID 59166574) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
PubChem CID59166574
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
SMILESCC(C)[C@H](Nc1cccnc1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7(2)9(10(13)14)12-8-4-3-5-11-6-8/h3-7,9,12H,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyVTAWWVOYSQUFLT-VIFPVBQESA-N
XLogP1.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
CID 71023963
3-methyl-2-(pyridazin-3-ylamino)butanoic acid
CID 82239340
3-methyl-2-(quinolin-6-ylamino)butanoic acid
CID 82539325
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
3-methyl-2-(pyridin-3-ylmethoxycarbonylamino)butanoic acid
CID 22903368
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid (CID 59166574) is (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid is CC(C)[C@H](Nc1cccnc1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid?
The InChIKey is VTAWWVOYSQUFLT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)9(10(13)14)12-8-4-3-5-11-6-8/h3-7,9,12H,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid?
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid is sourced from PubChem (CID 59166574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).