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

C15H20N2O3 — CID 60768674

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H20N2O3/c1-10-6-7-13(16)12(8-10)15(19)20-9-14(18)17-11-4-2-3-5-11/h6-8,11H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyOQNWCHLHCVHHRM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.79
Rot. Bonds4

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

[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate (PubChem CID 60768674) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
PubChem CID60768674
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C15H20N2O3/c1-10-6-7-13(16)12(8-10)15(19)20-9-14(18)17-11-4-2-3-5-11/h6-8,11H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyOQNWCHLHCVHHRM-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.79
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-(cyclopropylmethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768796
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cyclopentylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212906
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966386
2-(2-amino-4-methylphenyl)-N-cyclopentylacetamide
CID 99991566
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cyclopentylamino)-2-oxoethyl] 4-amino-3-fluorobenzoate
CID 62680450
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate (CID 60768674) is [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate is Cc1ccc(N)c(C(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate?
The InChIKey is OQNWCHLHCVHHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-7-13(16)12(8-10)15(19)20-9-14(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] 2-amino-5-methylbenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate has a molecular weight of 276.34 g/mol, XLogP of 1.79, 4 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-amino-5-methylbenzoate is sourced from PubChem (CID 60768674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).