ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate

C15H20N2O3 — CID 60953815

IUPACethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(N)c(C)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-20-14(18)9-17(12-5-6-12)15(19)11-4-7-13(16)10(2)8-11/h4,7-8,12H,3,5-6,9,16H2,1-2H3
InChIKeyJLIVJAKRMSRAJN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate

ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate (PubChem CID 60953815) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
PubChem CID60953815
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(N)c(C)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-3-20-14(18)9-17(12-5-6-12)15(19)11-4-7-13(16)10(2)8-11/h4,7-8,12H,3,5-6,9,16H2,1-2H3
InChIKeyJLIVJAKRMSRAJN-UHFFFAOYSA-N
XLogP1.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[(4-carbamoylbenzoyl)-cyclopropylamino]acetate
CID 47981242
ethyl 2-[cyclopropyl-(4-iodobenzoyl)amino]acetate
CID 61400648
ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
ethyl 2-[(4-bromo-3-nitrobenzoyl)-cyclopropylamino]acetate
CID 78904452
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
2-[(4-bromo-3-methylbenzoyl)-cyclopropylamino]acetic acid
CID 113396633
ethyl 2-[cyclopropyl-(2,6-difluoro-3-methylbenzoyl)amino]acetate
CID 82799836
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate (CID 60953815) is ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(N)c(C)c1)C1CC1.
What is the InChIKey of ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate?
The InChIKey is JLIVJAKRMSRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-14(18)9-17(12-5-6-12)15(19)11-4-7-13(16)10(2)8-11/h4,7-8,12H,3,5-6,9,16H2,1-2H3.
What are the key properties of ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate?
ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-3-methylbenzoyl)-cyclopropylamino]acetate is sourced from PubChem (CID 60953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).