[2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate

C16H19ClN2O4 — CID 2407437

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1Cl)NC1CCCC1
InChIInChI=1S/C16H19ClN2O4/c17-13-8-4-3-7-12(13)16(22)18-9-15(21)23-10-14(20)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,22)(H,19,20)
InChIKeyZFZZLGJBQNZZRA-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.67
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate (PubChem CID 2407437) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
PubChem CID2407437
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1Cl)NC1CCCC1
InChIInChI=1S/C16H19ClN2O4/c17-13-8-4-3-7-12(13)16(22)18-9-15(21)23-10-14(20)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,22)(H,19,20)
InChIKeyZFZZLGJBQNZZRA-UHFFFAOYSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Ethylamino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 2571604
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
Acetic acid, 2-((2-chlorobenzoyl)amino)-
CID 177756
Glycine, N-(2-chlorobenzoyl)-, methyl ester
CID 531380
2-(2-Chlorophenyl)-2-oxoethyl (benzoylamino)acetate
CID 1615618
(2-Oxooxolan-3-yl) 2-[(2-chlorobenzoyl)amino]acetate
CID 3908649
[2-(Cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4782978
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16240695
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16243298
2-[(2-Chlorophenyl)formamido]propanoic acid
CID 2787609
2-(2-chlorophenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 1619325
(2-Amino-2-oxoethyl) 2-[(4-chlorobenzoyl)amino]acetate
CID 2118289

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate (CID 2407437) is [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccccc1Cl)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
The InChIKey is ZFZZLGJBQNZZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c17-13-8-4-3-7-12(13)16(22)18-9-15(21)23-10-14(20)19-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,22)(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate has a molecular weight of 338.79 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 2407437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).