1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid

C17H19N3O4 — CID 119257010

IUPAC1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H19N3O4/c1-17(16(23)24)6-7-20(10-17)14(21)9-18-15(22)13-8-11-4-2-3-5-12(11)19-13/h2-5,8,19H,6-7,9-10H2,1H3,(H,18,22)(H,23,24)
InChIKeyOURGXJPXIJVKNJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.22
Rot. Bonds4

About 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119257010) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119257010
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H19N3O4/c1-17(16(23)24)6-7-20(10-17)14(21)9-18-15(22)13-8-11-4-2-3-5-12(11)19-13/h2-5,8,19H,6-7,9-10H2,1H3,(H,18,22)(H,23,24)
InChIKeyOURGXJPXIJVKNJ-UHFFFAOYSA-N
XLogP1.22
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide
CID 162364764
1-[2-[(3-bromobenzoyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529242
3-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 63146495
1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
1-[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529339
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
6-cyano-N-[2-[(3S)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]-1H-indole-2-carboxamide;ethane;molecular hydrogen
CID 176993893
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 176993906
1-[2-(furan-2-carbonylamino)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63134020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119257010) is 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OURGXJPXIJVKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-17(16(23)24)6-7-20(10-17)14(21)9-18-15(22)13-8-11-4-2-3-5-12(11)19-13/h2-5,8,19H,6-7,9-10H2,1H3,(H,18,22)(H,23,24).
What are the key properties of 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indole-2-carbonylamino)acetyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).