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

C14H16N2O4 — CID 61158803

IUPAC1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N2O4/c17-9-6-12(14(19)20)16(7-9)13(18)11-5-8-3-1-2-4-10(8)15-11/h1-4,9,11-12,15,17H,5-7H2,(H,19,20)/t9?,11-,12?/m0/s1
InChIKeyNZRJRLYKFGURJK-ZYXZCXLHSA-N
MW276.29 g/mol
LogP0.07
Rot. Bonds2

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

1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61158803) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61158803
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H16N2O4/c17-9-6-12(14(19)20)16(7-9)13(18)11-5-8-3-1-2-4-10(8)15-11/h1-4,9,11-12,15,17H,5-7H2,(H,19,20)/t9?,11-,12?/m0/s1
InChIKeyNZRJRLYKFGURJK-ZYXZCXLHSA-N
XLogP0.07
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 ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-2,3-dihydro-1H-indole-2-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,4S)-4-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 64714435
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106892310
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
(2S,3aS,6aS)-N-benzyl-1-[(2S,4R)-1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]-N-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 11800031
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2S,4R)-1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107842979
2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 61158803) is 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is NZRJRLYKFGURJK-ZYXZCXLHSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-9-6-12(14(19)20)16(7-9)13(18)11-5-8-3-1-2-4-10(8)15-11/h1-4,9,11-12,15,17H,5-7H2,(H,19,20)/t9?,11-,12?/m0/s1.
What are the key properties of 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61158803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).