(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 61162121

IUPAC(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H18N2O4/c18-11-7-13(15(20)21)17(8-11)14(19)10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,11,13,16,18H,1-2,5,7-8H2,(H,20,21)/t11?,13-/m0/s1
InChIKeyNCSHSIPJRSFMFW-YUZLPWPTSA-N
MW290.32 g/mol
LogP0.70
Rot. Bonds2

About (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61162121) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61162121
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H18N2O4/c18-11-7-13(15(20)21)17(8-11)14(19)10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,11,13,16,18H,1-2,5,7-8H2,(H,20,21)/t11?,13-/m0/s1
InChIKeyNCSHSIPJRSFMFW-YUZLPWPTSA-N
XLogP0.70
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843359
(2S)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61162120
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61157126
2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392
4-hydroxy-1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 102710605
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)morpholine-3-carboxamide
CID 83097717
(2S)-1-(4-cyanobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152938
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid (CID 61162121) is (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NCSHSIPJRSFMFW-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11-7-13(15(20)21)17(8-11)14(19)10-3-4-12-9(6-10)2-1-5-16-12/h3-4,6,11,13,16,18H,1-2,5,7-8H2,(H,20,21)/t11?,13-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61162121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).