methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate

C17H20N2O3 — CID 75381587

IUPACmethyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc2cc[nH]c2c1)C1CCCC1
InChIInChI=1S/C17H20N2O3/c1-22-16(20)11-19(14-4-2-3-5-14)17(21)13-7-6-12-8-9-18-15(12)10-13/h6-10,14,18H,2-5,11H2,1H3
InChIKeyDKNQBXJWICGCGG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.73
Rot. Bonds4

About methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate

methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate (PubChem CID 75381587) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
PubChem CID75381587
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccc2cc[nH]c2c1)C1CCCC1
InChIInChI=1S/C17H20N2O3/c1-22-16(20)11-19(14-4-2-3-5-14)17(21)13-7-6-12-8-9-18-15(12)10-13/h6-10,14,18H,2-5,11H2,1H3
InChIKeyDKNQBXJWICGCGG-UHFFFAOYSA-N
XLogP2.73
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-6-carboxamide
CID 61217148
2-[cyclopentyl(1H-indole-5-carbonyl)amino]acetic acid
CID 63748053
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-indole-6-carboxamide
CID 56797541
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
N-piperidin-3-yl-N-propyl-1H-indole-6-carboxamide
CID 63748800
N-cyclohexyl-N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1H-indole-6-carboxamide;dihydrochloride
CID 22321771
N-cyclopentyl-N-(2-hydroxyethyl)-1H-indole-5-carboxamide
CID 63748789
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
N-cyclopentyl-N-prop-2-enyl-1H-indole-5-carboxamide
CID 63717710

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate (CID 75381587) is methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccc2cc[nH]c2c1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate?
The InChIKey is DKNQBXJWICGCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-16(20)11-19(14-4-2-3-5-14)17(21)13-7-6-12-8-9-18-15(12)10-13/h6-10,14,18H,2-5,11H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate?
methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate has a molecular weight of 300.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate is sourced from PubChem (CID 75381587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).