methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate

C16H21NO4 — CID 80717814

IUPACmethyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(OC)c1)C1CCCC1
InChIInChI=1S/C16H21NO4/c1-20-14-9-5-6-12(10-14)16(19)17(11-15(18)21-2)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyDPFFUFKAPSHVOS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate

methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate (PubChem CID 80717814) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
PubChem CID80717814
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
SMILESCOC(=O)CN(C(=O)c1cccc(OC)c1)C1CCCC1
InChIInChI=1S/C16H21NO4/c1-20-14-9-5-6-12(10-14)16(19)17(11-15(18)21-2)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3
InChIKeyDPFFUFKAPSHVOS-UHFFFAOYSA-N
XLogP2.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
methyl 2-[cyclopentyl-(6-methoxyquinoline-3-carbonyl)amino]acetate
CID 171676120
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
methyl 2-[cyclopentyl(1H-indole-6-carbonyl)amino]acetate
CID 75381587
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
methyl 2-[(3-chloro-4-methylbenzoyl)-cyclopentylamino]acetate
CID 80718269
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate (CID 80717814) is methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate is COC(=O)CN(C(=O)c1cccc(OC)c1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate?
The InChIKey is DPFFUFKAPSHVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-14-9-5-6-12(10-14)16(19)17(11-15(18)21-2)13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate?
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate has a molecular weight of 291.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 80717814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).