(2R)-2-(quinoline-5-carbonylamino)propanoic acid

C13H12N2O3 — CID 54990837

IUPAC(2R)-2-(quinoline-5-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1cccc2ncccc12)C(=O)O
InChIInChI=1S/C13H12N2O3/c1-8(13(17)18)15-12(16)10-4-2-6-11-9(10)5-3-7-14-11/h2-8H,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyBGMQDYFWBLXMKL-MRVPVSSYSA-N
MW244.25 g/mol
LogP1.44
Rot. Bonds3

About (2R)-2-(quinoline-5-carbonylamino)propanoic acid

(2R)-2-(quinoline-5-carbonylamino)propanoic acid (PubChem CID 54990837) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2R)-2-(quinoline-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(quinoline-5-carbonylamino)propanoic acid
PubChem CID54990837
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(2R)-2-(quinoline-5-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)c1cccc2ncccc12)C(=O)O
InChIInChI=1S/C13H12N2O3/c1-8(13(17)18)15-12(16)10-4-2-6-11-9(10)5-3-7-14-11/h2-8H,1H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyBGMQDYFWBLXMKL-MRVPVSSYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(quinoline-5-carbonylamino)butanoic acid
CID 61137612
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
N-(4-hydroxy-3-methylbutan-2-yl)quinoline-5-carboxamide
CID 115770742
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
2-cyclopropyl-2-(quinoline-5-carbonylamino)acetic acid
CID 62696329
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-(1-aminobutan-2-yl)quinoline-5-carboxamide
CID 63755174
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(quinoline-5-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(quinoline-5-carbonylamino)propanoic acid (CID 54990837) is (2R)-2-(quinoline-5-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(quinoline-5-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(quinoline-5-carbonylamino)propanoic acid is C[C@@H](NC(=O)c1cccc2ncccc12)C(=O)O.
What is the InChIKey of (2R)-2-(quinoline-5-carbonylamino)propanoic acid?
The InChIKey is BGMQDYFWBLXMKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8(13(17)18)15-12(16)10-4-2-6-11-9(10)5-3-7-14-11/h2-8H,1H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-(quinoline-5-carbonylamino)propanoic acid?
(2R)-2-(quinoline-5-carbonylamino)propanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(quinoline-5-carbonylamino)propanoic acid is sourced from PubChem (CID 54990837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).