(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid

C20H20N2O4 — CID 119367609

IUPAC(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
SMILESO=C(CCC1Cc2ccccc2NC1=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-17(22-18(20(25)26)13-6-2-1-3-7-13)11-10-15-12-14-8-4-5-9-16(14)21-19(15)24/h1-9,15,18H,10-12H2,(H,21,24)(H,22,23)(H,25,26)/t15?,18-/m1/s1
InChIKeyBLBCTLQBUMHBSJ-KPMSDPLLSA-N
MW352.39 g/mol
LogP2.52
Rot. Bonds6

About (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid

(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid (PubChem CID 119367609) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
PubChem CID119367609
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
SMILESO=C(CCC1Cc2ccccc2NC1=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-17(22-18(20(25)26)13-6-2-1-3-7-13)11-10-15-12-14-8-4-5-9-16(14)21-19(15)24/h1-9,15,18H,10-12H2,(H,21,24)(H,22,23)(H,25,26)/t15?,18-/m1/s1
InChIKeyBLBCTLQBUMHBSJ-KPMSDPLLSA-N
XLogP2.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-[(1S)-1,2-diphenylethyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26004613
(2S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119359510
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
methyl 3-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 18143028
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoic acid
CID 119194338
2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 16615583
N-[1-(furan-2-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18142639
2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119199666
3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645544
N-[(S)-cyano(thiophen-3-yl)methyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 95309465
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 94116546
2-[2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 119218504

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid (CID 119367609) is (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid is O=C(CCC1Cc2ccccc2NC1=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid?
The InChIKey is BLBCTLQBUMHBSJ-KPMSDPLLSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-17(22-18(20(25)26)13-6-2-1-3-7-13)11-10-15-12-14-8-4-5-9-16(14)21-19(15)24/h1-9,15,18H,10-12H2,(H,21,24)(H,22,23)(H,25,26)/t15?,18-/m1/s1.
What are the key properties of (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid?
(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid has a molecular weight of 352.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid is sourced from PubChem (CID 119367609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).