methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate

C14H18N2O3 — CID 80709522

IUPACmethyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccncc1)C1CCCC1
InChIInChI=1S/C14H18N2O3/c1-19-13(17)10-16(12-4-2-3-5-12)14(18)11-6-8-15-9-7-11/h6-9,12H,2-5,10H2,1H3
InChIKeyODVGBZLHDKJWHW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds4

About methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate

methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate (PubChem CID 80709522) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
PubChem CID80709522
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1ccncc1)C1CCCC1
InChIInChI=1S/C14H18N2O3/c1-19-13(17)10-16(12-4-2-3-5-12)14(18)11-6-8-15-9-7-11/h6-9,12H,2-5,10H2,1H3
InChIKeyODVGBZLHDKJWHW-UHFFFAOYSA-N
XLogP1.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 80709959
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
CID 75381587
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate
CID 171676120
methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
CID 99795385
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzamide
CID 119070496
N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
CID 79115334

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate (CID 80709522) is methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate is COC(=O)CN(C(=O)c1ccncc1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate?
The InChIKey is ODVGBZLHDKJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-13(17)10-16(12-4-2-3-5-12)14(18)11-6-8-15-9-7-11/h6-9,12H,2-5,10H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate?
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate has a molecular weight of 262.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate is sourced from PubChem (CID 80709522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).