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

C14H18N2O3 — CID 61322475

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OC(C)C(=O)NC1CC1
InChIInChI=1S/C14H18N2O3/c1-8-3-4-10(15)7-12(8)14(18)19-9(2)13(17)16-11-5-6-11/h3-4,7,9,11H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyMLUNITABHOWVRA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.40
Rot. Bonds4

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

[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate (PubChem CID 61322475) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
PubChem CID61322475
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
SMILESCc1ccc(N)cc1C(=O)OC(C)C(=O)NC1CC1
InChIInChI=1S/C14H18N2O3/c1-8-3-4-10(15)7-12(8)14(18)19-9(2)13(17)16-11-5-6-11/h3-4,7,9,11H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyMLUNITABHOWVRA-UHFFFAOYSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.40
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] 5-amino-2-methylbenzoate
CID 61322121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methyl-5-sulfamoylbenzoate
CID 46792872
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322293
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 8860974
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate (CID 61322475) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate is Cc1ccc(N)cc1C(=O)OC(C)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
The InChIKey is MLUNITABHOWVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-3-4-10(15)7-12(8)14(18)19-9(2)13(17)16-11-5-6-11/h3-4,7,9,11H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate has a molecular weight of 262.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate is sourced from PubChem (CID 61322475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).