[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate

C16H22N2O3 — CID 80695406

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
SMILESNc1cccc(CCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c17-13-5-3-4-12(10-13)8-9-16(20)21-11-15(19)18-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,17H2,(H,18,19)
InChIKeySEWGGYYPXMNDHX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate (PubChem CID 80695406) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
PubChem CID80695406
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
SMILESNc1cccc(CCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H22N2O3/c17-13-5-3-4-12(10-13)8-9-16(20)21-11-15(19)18-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,17H2,(H,18,19)
InChIKeySEWGGYYPXMNDHX-UHFFFAOYSA-N
XLogP1.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695577
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695575
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate (CID 80695406) is [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate is Nc1cccc(CCC(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate?
The InChIKey is SEWGGYYPXMNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-13-5-3-4-12(10-13)8-9-16(20)21-11-15(19)18-14-6-1-2-7-14/h3-5,10,14H,1-2,6-9,11,17H2,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate has a molecular weight of 290.36 g/mol, XLogP of 1.80, 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] 3-(3-aminophenyl)propanoate is sourced from PubChem (CID 80695406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).