[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate

C16H22N2O3 — CID 46815266

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OC(C)C(=O)NC2CCCC2)c1N
InChIInChI=1S/C16H22N2O3/c1-10-6-5-9-13(14(10)17)16(20)21-11(2)15(19)18-12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyPYHJFXPQIGZYFU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.18
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate (PubChem CID 46815266) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
PubChem CID46815266
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
SMILESCc1cccc(C(=O)OC(C)C(=O)NC2CCCC2)c1N
InChIInChI=1S/C16H22N2O3/c1-10-6-5-9-13(14(10)17)16(20)21-11(2)15(19)18-12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeyPYHJFXPQIGZYFU-UHFFFAOYSA-N
XLogP2.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.18
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

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 17419619
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 7840512
[(2R)-1-anilino-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 41013414
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 7754506
[1-(3-methylbutylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 60719924
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate (CID 46815266) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate is Cc1cccc(C(=O)OC(C)C(=O)NC2CCCC2)c1N.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate?
The InChIKey is PYHJFXPQIGZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-6-5-9-13(14(10)17)16(20)21-11(2)15(19)18-12-7-3-4-8-12/h5-6,9,11-12H,3-4,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate has a molecular weight of 290.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate is sourced from PubChem (CID 46815266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).