1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C15H15ClN2O3 — CID 119257549

IUPAC1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1
InChIInChI=1S/C15H15ClN2O3/c1-15(14(20)21)6-7-18(8-15)13(19)12-11(16)9-4-2-3-5-10(9)17-12/h2-5,17H,6-8H2,1H3,(H,20,21)
InChIKeyJYAWGRQTMBZNFW-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119257549) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119257549
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1
InChIInChI=1S/C15H15ClN2O3/c1-15(14(20)21)6-7-18(8-15)13(19)12-11(16)9-4-2-3-5-10(9)17-12/h2-5,17H,6-8H2,1H3,(H,20,21)
InChIKeyJYAWGRQTMBZNFW-UHFFFAOYSA-N
XLogP2.76
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-1H-indol-2-yl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72929030
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607083
(3R)-1-(1H-indazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129469253
1-[5-(2-chlorophenyl)furan-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256069
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256786
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256257
(3S)-3-methyl-1-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682748
1-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529339

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 119257549) is 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1.
What is the InChIKey of 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JYAWGRQTMBZNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-15(14(20)21)6-7-18(8-15)13(19)12-11(16)9-4-2-3-5-10(9)17-12/h2-5,17H,6-8H2,1H3,(H,20,21).
What are the key properties of 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).