methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate

C15H19NO4 — CID 34140038

IUPACmethyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C15H19NO4/c1-10(11-3-4-11)16-14(17)9-20-13-7-5-12(6-8-13)15(18)19-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyOSXKQWXKDKQGIU-SNVBAGLBSA-N
MW277.32 g/mol
LogP1.77
Rot. Bonds6

About methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate

methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate (PubChem CID 34140038) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
PubChem CID34140038
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C15H19NO4/c1-10(11-3-4-11)16-14(17)9-20-13-7-5-12(6-8-13)15(18)19-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyOSXKQWXKDKQGIU-SNVBAGLBSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzamide
CID 95310406
2-(6-acetylnaphthalen-2-yl)oxy-N-(1-cyclopropylethyl)acetamide
CID 71863242
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
methyl 4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoate
CID 51139849
methyl 2-[2-(1-cyclopropylethylamino)-2-oxoethoxy]-5-methoxybenzoate
CID 47069669
methyl 3-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]naphthalene-2-carboxylate
CID 51924023
diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8886196
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate (CID 34140038) is methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate is COC(=O)c1ccc(OCC(=O)N[C@H](C)C2CC2)cc1.
What is the InChIKey of methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate?
The InChIKey is OSXKQWXKDKQGIU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(11-3-4-11)16-14(17)9-20-13-7-5-12(6-8-13)15(18)19-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate?
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate has a molecular weight of 277.32 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 34140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).