2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid

C12H11ClN2O3 — CID 84640250

IUPAC2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESNC(Cc1cc2cccc(Cl)c2[nH]c1=O)C(=O)O
InChIInChI=1S/C12H11ClN2O3/c13-8-3-1-2-6-4-7(5-9(14)12(17)18)11(16)15-10(6)8/h1-4,9H,5,14H2,(H,15,16)(H,17,18)
InChIKeyBWVFRYPELGIMGV-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.14
Rot. Bonds3

About 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid

2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid (PubChem CID 84640250) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid
PubChem CID84640250
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESNC(Cc1cc2cccc(Cl)c2[nH]c1=O)C(=O)O
InChIInChI=1S/C12H11ClN2O3/c13-8-3-1-2-6-4-7(5-9(14)12(17)18)11(16)15-10(6)8/h1-4,9H,5,14H2,(H,15,16)(H,17,18)
InChIKeyBWVFRYPELGIMGV-UHFFFAOYSA-N
XLogP1.14
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 12910805
8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one
CID 84634088
8-chloro-3-hydroxy-1H-quinolin-2-one
CID 13271054
3-(2-aminopropyl)-8-fluoro-1H-quinolin-2-one
CID 84623506
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632452
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid
CID 22326309
(2R)-2-amino-3-(5-borono-2-chlorophenyl)propanoic acid
CID 167431302
2-amino-3-[7-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
CID 170880213
2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid (CID 84640250) is 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid is NC(Cc1cc2cccc(Cl)c2[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid?
The InChIKey is BWVFRYPELGIMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-8-3-1-2-6-4-7(5-9(14)12(17)18)11(16)15-10(6)8/h1-4,9H,5,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid?
2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid has a molecular weight of 266.68 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid is sourced from PubChem (CID 84640250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).