(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid

C16H16N2O3 — CID 140517997

IUPAC(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2c(C(=O)N3CCC[C@@H]3C(=O)O)cccc2n1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-11-12(4-2-5-13(11)17-10)15(19)18-9-3-6-14(18)16(20)21/h2,4-5,7-8,14H,3,6,9H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyXYDNMCHYPLXCAF-CQSZACIVSA-N
MW284.32 g/mol
LogP2.23
Rot. Bonds2

About (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 140517997) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID140517997
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2c(C(=O)N3CCC[C@@H]3C(=O)O)cccc2n1
InChIInChI=1S/C16H16N2O3/c1-10-7-8-11-12(4-2-5-13(11)17-10)15(19)18-9-3-6-14(18)16(20)21/h2,4-5,7-8,14H,3,6,9H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyXYDNMCHYPLXCAF-CQSZACIVSA-N
XLogP2.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 92756294
1-(isoquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355718
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356858
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 140517997) is (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1ccc2c(C(=O)N3CCC[C@@H]3C(=O)O)cccc2n1.
What is the InChIKey of (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XYDNMCHYPLXCAF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-8-11-12(4-2-5-13(11)17-10)15(19)18-9-3-6-14(18)16(20)21/h2,4-5,7-8,14H,3,6,9H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140517997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).