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

C15H20N2O4 — CID 61321950

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-6-10(16)8-12(13)15(19)21-9-14(18)17-11-4-2-3-5-11/h6-8,11H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyPISOUXDUZYRLQI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.49
Rot. Bonds5

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

[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate (PubChem CID 61321950) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
PubChem CID61321950
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
SMILESCOc1ccc(N)cc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-6-10(16)8-12(13)15(19)21-9-14(18)17-11-4-2-3-5-11/h6-8,11H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyPISOUXDUZYRLQI-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-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561176
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518395
[2-(cyclopentylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2338053
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
(2-methoxy-2-oxoethyl) 5-amino-2-methoxybenzoate
CID 61323469
[2-(cyclohexylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503827
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate (CID 61321950) is [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate is COc1ccc(N)cc1C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
The InChIKey is PISOUXDUZYRLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-13-7-6-10(16)8-12(13)15(19)21-9-14(18)17-11-4-2-3-5-11/h6-8,11H,2-5,9,16H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-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] 5-amino-2-methoxybenzoate is sourced from PubChem (CID 61321950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).