[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate

C15H20N2O4 — CID 81095131

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-10(6-11(16)8-13)15(19)21-9-14(18)17-12-4-2-3-5-12/h6-8,12H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyICEUKZFYQFPBMB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.49
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate (PubChem CID 81095131) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
PubChem CID81095131
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-10(6-11(16)8-13)15(19)21-9-14(18)17-12-4-2-3-5-12/h6-8,12H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyICEUKZFYQFPBMB-UHFFFAOYSA-N
XLogP1.49
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2431386
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81092520
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-methoxybenzoate
CID 81095128
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
cyclohexyl 3-amino-5-methoxybenzoate
CID 81092610
[2-(3-methylbutylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81093824
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-cyclopentylacetamide
CID 103565946
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
(2-ethoxy-2-oxoethyl) 3-amino-5-methoxybenzoate
CID 81091460
[2-(cyclopropylamino)-2-oxoethyl] 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7837372

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate (CID 81095131) is [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate is COc1cc(N)cc(C(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate?
The InChIKey is ICEUKZFYQFPBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-13-7-10(6-11(16)8-13)15(19)21-9-14(18)17-12-4-2-3-5-12/h6-8,12H,2-5,9,16H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate has a molecular weight of 292.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate is sourced from PubChem (CID 81095131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).