1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H21N3O3 — CID 122013333

IUPAC1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H21N3O3/c1-17(15(21)22)6-9-20(11-17)16(23)19-7-4-12-2-3-14-13(10-12)5-8-18-14/h2-3,5,8,10,18H,4,6-7,9,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyCTJHYXHVQXVBDA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122013333) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122013333
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H21N3O3/c1-17(15(21)22)6-9-20(11-17)16(23)19-7-4-12-2-3-14-13(10-12)5-8-18-14/h2-3,5,8,10,18H,4,6-7,9,11H2,1H3,(H,19,23)(H,21,22)
InChIKeyCTJHYXHVQXVBDA-UHFFFAOYSA-N
XLogP2.22
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-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

1-[2-(1H-indol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122013321
3-(dimethylamino)-N-[2-(1H-indol-5-yl)ethyl]piperidine-1-carboxamide
CID 136540342
(3R)-1-acetyl-3-hydroxy-N-[2-(1H-indol-5-yl)ethyl]piperidine-3-carboxamide
CID 129346826
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122000522
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001409
3-methyl-1-[[4-(propylamino)phenyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011901
1-[(3-bromo-4-hydroxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122007027
3-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 103009433
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122013333) is 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CTJHYXHVQXVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(15(21)22)6-9-20(11-17)16(23)19-7-4-12-2-3-14-13(10-12)5-8-18-14/h2-3,5,8,10,18H,4,6-7,9,11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-5-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122013333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).