(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid

C10H12N2O3 — CID 170110433

IUPAC(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
SMILESCC(=O)c1ccc(C[C@H](N)C(=O)O)cn1
InChIInChI=1S/C10H12N2O3/c1-6(13)9-3-2-7(5-12-9)4-8(11)10(14)15/h2-3,5,8H,4,11H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyLDUCHINNUPAJNY-QMMMGPOBSA-N
MW208.22 g/mol
LogP0.24
Rot. Bonds4

About (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid

(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid (PubChem CID 170110433) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
PubChem CID170110433
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid
SMILESCC(=O)c1ccc(C[C@H](N)C(=O)O)cn1
InChIInChI=1S/C10H12N2O3/c1-6(13)9-3-2-7(5-12-9)4-8(11)10(14)15/h2-3,5,8H,4,11H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyLDUCHINNUPAJNY-QMMMGPOBSA-N
XLogP0.24
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017
2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
CID 137361047
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
2-(6-acetyl-3-pyridinyl)-1-phenylethanone
CID 159930313
CID 88967264
CID 88967264
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid?
The IUPAC name of (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid (CID 170110433) is (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid.
What is the SMILES notation for (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid?
The canonical SMILES for (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid is CC(=O)c1ccc(C[C@H](N)C(=O)O)cn1.
What is the InChIKey of (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid?
The InChIKey is LDUCHINNUPAJNY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(13)9-3-2-7(5-12-9)4-8(11)10(14)15/h2-3,5,8H,4,11H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid?
(2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(6-acetyl-3-pyridinyl)-2-aminopropanoic acid is sourced from PubChem (CID 170110433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).