1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C14H22N2O4 — CID 82750552

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H22N2O4/c17-10-7-12(13(18)19)16(8-10)14(20)15-6-5-9-3-1-2-4-11(9)15/h9-12,17H,1-8H2,(H,18,19)
InChIKeyLSNCPWPEPWARIB-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.89
Rot. Bonds1

About 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 82750552) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID82750552
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)N1CCC2CCCCC21
InChIInChI=1S/C14H22N2O4/c17-10-7-12(13(18)19)16(8-10)14(20)15-6-5-9-3-1-2-4-11(9)15/h9-12,17H,1-8H2,(H,18,19)
InChIKeyLSNCPWPEPWARIB-UHFFFAOYSA-N
XLogP0.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2R,4R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000492
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 104891603
(2S)-1-(2-ethylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61196770
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 65319939
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
(2S,4R)-4-hydroxy-1-(2-methoxycarbonylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 115535190
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 82750552) is 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)N1CCC2CCCCC21.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is LSNCPWPEPWARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-10-7-12(13(18)19)16(8-10)14(20)15-6-5-9-3-1-2-4-11(9)15/h9-12,17H,1-8H2,(H,18,19).
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82750552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).