ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate

C19H21NO4 — CID 102337853

IUPACethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(NC(=O)OC)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-24-18(21)16(14-10-6-4-7-11-14)17(20-19(22)23-2)15-12-8-5-9-13-15/h4-13,16-17H,3H2,1-2H3,(H,20,22)
InChIKeyNAKDKJAEXGPRAG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.43
Rot. Bonds6

About ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate

ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate (PubChem CID 102337853) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate
PubChem CID102337853
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate
SMILESCCOC(=O)C(c1ccccc1)C(NC(=O)OC)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-3-24-18(21)16(14-10-6-4-7-11-14)17(20-19(22)23-2)15-12-8-5-9-13-15/h4-13,16-17H,3H2,1-2H3,(H,20,22)
InChIKeyNAKDKJAEXGPRAG-UHFFFAOYSA-N
XLogP3.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]-3-oxobutanoate
CID 46913460
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
propyl N-[(1R)-2-acetyl-3-oxo-1-phenylbutyl]carbamate
CID 143398455
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
ethyl (2R,3R)-2-[dimethyl(phenyl)silyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 10550433
diethyl 2-phenyl-3-[(E)-prop-1-enyl]butanedioate
CID 14241585
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
CID 13248569
ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate?
The IUPAC name of ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate (CID 102337853) is ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate.
What is the SMILES notation for ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate?
The canonical SMILES for ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate is CCOC(=O)C(c1ccccc1)C(NC(=O)OC)c1ccccc1.
What is the InChIKey of ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate?
The InChIKey is NAKDKJAEXGPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-18(21)16(14-10-6-4-7-11-14)17(20-19(22)23-2)15-12-8-5-9-13-15/h4-13,16-17H,3H2,1-2H3,(H,20,22).
What are the key properties of ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate?
ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate has a molecular weight of 327.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxycarbonylamino)-2,3-diphenylpropanoate is sourced from PubChem (CID 102337853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).