(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid

C16H16N2O3 — CID 30075662

IUPAC(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C16H16N2O3/c1-11-6-5-9-13(17-11)15(19)18-14(16(20)21)10-12-7-3-2-4-8-12/h2-9,14H,10H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyIELBKALAJOCNSI-AWEZNQCLSA-N
MW284.32 g/mol
LogP1.82
Rot. Bonds5

About (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid

(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 30075662) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID30075662
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C16H16N2O3/c1-11-6-5-9-13(17-11)15(19)18-14(16(20)21)10-12-7-3-2-4-8-12/h2-9,14H,10H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyIELBKALAJOCNSI-AWEZNQCLSA-N
XLogP1.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methylpyridine-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16794367
2-[(6-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 43631097
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 30071507
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid (CID 30075662) is (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid is Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is IELBKALAJOCNSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-6-5-9-13(17-11)15(19)18-14(16(20)21)10-12-7-3-2-4-8-12/h2-9,14H,10H2,1H3,(H,18,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 284.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 30075662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).