[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate

C16H22N2O3 — CID 61322121

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OC(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O3/c1-10-7-8-12(17)9-14(10)16(20)21-11(2)15(19)18-13-5-3-4-6-13/h7-9,11,13H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyYOPCSXNAFBCPGN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.18
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate (PubChem CID 61322121) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
PubChem CID61322121
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OC(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O3/c1-10-7-8-12(17)9-14(10)16(20)21-11(2)15(19)18-13-5-3-4-6-13/h7-9,11,13H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyYOPCSXNAFBCPGN-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-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322475
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate
CID 46792872
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322293
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386869
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-aminopyridine-2-carboxylate
CID 81312797
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate (CID 61322121) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate is Cc1ccc(N)cc1C(=O)OC(C)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The InChIKey is YOPCSXNAFBCPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-7-8-12(17)9-14(10)16(20)21-11(2)15(19)18-13-5-3-4-6-13/h7-9,11,13H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-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] 5-amino-2-methylbenzoate is sourced from PubChem (CID 61322121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).