[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate

C14H18N2O4 — CID 61320899

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC2CC2)cc1N
InChIInChI=1S/C14H18N2O4/c1-2-19-12-6-3-9(7-11(12)15)14(18)20-8-13(17)16-10-4-5-10/h3,6-7,10H,2,4-5,8,15H2,1H3,(H,16,17)
InChIKeyYVHCCVFTYUYFHB-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.10
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate

[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate (PubChem CID 61320899) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
PubChem CID61320899
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NC2CC2)cc1N
InChIInChI=1S/C14H18N2O4/c1-2-19-12-6-3-9(7-11(12)15)14(18)20-8-13(17)16-10-4-5-10/h3,6-7,10H,2,4-5,8,15H2,1H3,(H,16,17)
InChIKeyYVHCCVFTYUYFHB-UHFFFAOYSA-N
XLogP1.10
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7042976
[2-(cyclopropylamino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 2540841
[2-(cyclopropylamino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9390119
[2-(carbamoylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61322799
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34870859
[2-(cyclopropylamino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600322
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
[2-(butylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61485782
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate (CID 61320899) is [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NC2CC2)cc1N.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate?
The InChIKey is YVHCCVFTYUYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-19-12-6-3-9(7-11(12)15)14(18)20-8-13(17)16-10-4-5-10/h3,6-7,10H,2,4-5,8,15H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate is sourced from PubChem (CID 61320899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).