[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate

C14H18N2O4 — CID 81092520

IUPAC[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-16(11-3-4-11)13(17)8-20-14(18)9-5-10(15)7-12(6-9)19-2/h5-7,11H,3-4,8,15H2,1-2H3
InChIKeyQYICWNCUSVCNDC-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.05
Rot. Bonds5

About [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate

[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate (PubChem CID 81092520) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate.

Molecular Properties

Compound Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
PubChem CID81092520
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
SMILESCOc1cc(N)cc(C(=O)OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H18N2O4/c1-16(11-3-4-11)13(17)8-20-14(18)9-5-10(15)7-12(6-9)19-2/h5-7,11H,3-4,8,15H2,1-2H3
InChIKeyQYICWNCUSVCNDC-UHFFFAOYSA-N
XLogP1.05
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81092336
3-amino-5-methoxy-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 78985060
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 7727165
(2-ethoxy-2-oxoethyl) 3-amino-5-methoxybenzoate
CID 81091460
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
3-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 81089849
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 47485540
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 7703025
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61489001
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499758
cyclohexyl 3-amino-5-methoxybenzoate
CID 81092610

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
The IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate (CID 81092520) is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate.
What is the SMILES notation for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
The canonical SMILES for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate is COc1cc(N)cc(C(=O)OCC(=O)N(C)C2CC2)c1.
What is the InChIKey of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
The InChIKey is QYICWNCUSVCNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(11-3-4-11)13(17)8-20-14(18)9-5-10(15)7-12(6-9)19-2/h5-7,11H,3-4,8,15H2,1-2H3.
What are the key properties of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate?
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate is sourced from PubChem (CID 81092520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).