(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C14H16N2O4 — CID 63843359

IUPAC(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H16N2O4/c17-10-6-12(14(19)20)16(7-10)13(18)9-1-2-11-8(5-9)3-4-15-11/h1-2,5,10,12,15,17H,3-4,6-7H2,(H,19,20)/t10-,12+/m1/s1
InChIKeyBHIDVSBUKUPDRO-PWSUYJOCSA-N
MW276.29 g/mol
LogP0.31
Rot. Bonds2

About (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63843359) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63843359
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H16N2O4/c17-10-6-12(14(19)20)16(7-10)13(18)9-1-2-11-8(5-9)3-4-15-11/h1-2,5,10,12,15,17H,3-4,6-7H2,(H,19,20)/t10-,12+/m1/s1
InChIKeyBHIDVSBUKUPDRO-PWSUYJOCSA-N
XLogP0.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61162120
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 61162121
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61157126
(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
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(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
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114019641
1-(4-acetamidobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356772
1-(2,3-dihydro-1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 60937223

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63843359) is (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BHIDVSBUKUPDRO-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-10-6-12(14(19)20)16(7-10)13(18)9-1-2-11-8(5-9)3-4-15-11/h1-2,5,10,12,15,17H,3-4,6-7H2,(H,19,20)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2,3-dihydro-1H-indole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63843359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).