(2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid

C22H21N3O4 — CID 167899499

IUPAC(2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCc1[nH]c(=O)c(C(=O)Nc2cccc(C[C@H](N)C(=O)O)c2)cc1-c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-13-17(15-7-3-2-4-8-15)12-18(20(26)24-13)21(27)25-16-9-5-6-14(10-16)11-19(23)22(28)29/h2-10,12,19H,11,23H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t19-/m0/s1
InChIKeyUDBZXLAVZZYRTC-IBGZPJMESA-N
MW391.43 g/mol
LogP2.56
Rot. Bonds6

About (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid

(2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 167899499) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID167899499
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name(2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESCc1[nH]c(=O)c(C(=O)Nc2cccc(C[C@H](N)C(=O)O)c2)cc1-c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-13-17(15-7-3-2-4-8-15)12-18(20(26)24-13)21(27)25-16-9-5-6-14(10-16)11-19(23)22(28)29/h2-10,12,19H,11,23H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t19-/m0/s1
InChIKeyUDBZXLAVZZYRTC-IBGZPJMESA-N
XLogP2.56
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid with MolForge

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Related Compounds

(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594
6-methyl-N-(2-methylpropyl)-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 100639839
N-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 166329777
N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825632
5-iodo-6-methyl-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 125490765
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid (CID 167899499) is (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid is Cc1[nH]c(=O)c(C(=O)Nc2cccc(C[C@H](N)C(=O)O)c2)cc1-c1ccccc1.
What is the InChIKey of (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is UDBZXLAVZZYRTC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-17(15-7-3-2-4-8-15)12-18(20(26)24-13)21(27)25-16-9-5-6-14(10-16)11-19(23)22(28)29/h2-10,12,19H,11,23H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t19-/m0/s1.
What are the key properties of (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
(2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 391.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[3-[(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 167899499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).