1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid

C14H14N2O3 — CID 115449311

IUPAC1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H14N2O3/c17-12(16-8-14(4-5-14)13(18)19)10-2-1-9-3-6-15-11(9)7-10/h1-3,6-7,15H,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyNGFQUZLFYSEDFB-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.76
Rot. Bonds4

About 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid

1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115449311) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115449311
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CC1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H14N2O3/c17-12(16-8-14(4-5-14)13(18)19)10-2-1-9-3-6-15-11(9)7-10/h1-3,6-7,15H,4-5,8H2,(H,16,17)(H,18,19)
InChIKeyNGFQUZLFYSEDFB-UHFFFAOYSA-N
XLogP1.76
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-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-[(1H-indole-6-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362162
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937
N-[[1-(dimethylamino)cyclopentyl]methyl]-1H-indole-6-carboxamide
CID 115282537
N-[(4-hydroxythian-4-yl)methyl]-1H-indole-6-carboxamide
CID 111484943
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
CID 103528166
N-[(1-aminocyclobutyl)methyl]-1H-indole-5-carboxamide
CID 103352557
1-[[(4-chloro-3-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107998056
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
1-[[(3-bromo-4-methylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312051
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
N-(2-pyridin-4-ylethyl)-1H-indole-6-carboxamide
CID 63769836

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid (CID 115449311) is 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid is O=C(NCC1(C(=O)O)CC1)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NGFQUZLFYSEDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(16-8-14(4-5-14)13(18)19)10-2-1-9-3-6-15-11(9)7-10/h1-3,6-7,15H,4-5,8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115449311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).