[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

C16H21NO4 — CID 9197591

IUPAC[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-20-14-7-5-4-6-13(14)16(19)21-10-15(18)17-11(2)12-8-9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyGBHSXGJQAHKMCO-NSHDSACASA-N
MW291.35 g/mol
LogP2.16
Rot. Bonds7

About [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 9197591) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
PubChem CID9197591
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-20-14-7-5-4-6-13(14)16(19)21-10-15(18)17-11(2)12-8-9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyGBHSXGJQAHKMCO-NSHDSACASA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 43032765
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197604
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197641
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-ethoxybenzoate
CID 9197483
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 9018368
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 9417725
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 8887489
N-[(1S)-1-cyclopropylethyl]-2-naphthalen-1-yloxyacetamide
CID 9014883
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate (CID 9197591) is [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)N[C@@H](C)C1CC1.
What is the InChIKey of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is GBHSXGJQAHKMCO-NSHDSACASA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-20-14-7-5-4-6-13(14)16(19)21-10-15(18)17-11(2)12-8-9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate?
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 291.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 9197591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).