methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate

C14H19NO4 — CID 134397352

IUPACmethyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)NC(Cc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-19-14(17)15-12(13(16)18-3)9-11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3,(H,15,17)
InChIKeyOKPYSKYJIUMLJZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.83
Rot. Bonds5

About methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate

methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate (PubChem CID 134397352) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate
PubChem CID134397352
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate
SMILESCCOC(=O)NC(Cc1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C14H19NO4/c1-4-19-14(17)15-12(13(16)18-3)9-11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3,(H,15,17)
InChIKeyOKPYSKYJIUMLJZ-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(ethoxycarbonylamino)-3-(4-iodophenyl)propanoate
CID 86276354
methyl (2R)-3-[4-(4-methylphenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135055605
methyl (2S)-2-[(4-methylphenyl)methoxycarbonylamino]butanoate
CID 174250819
ethyl 3-(4-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 11001050
ethyl (2S)-3-(4-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 89458542
methyl (2S)-3-(3-chlorophenyl)-2-(ethoxycarbonylamino)propanoate
CID 46900288
methyl (2S)-2-[[(1S)-1-(ethoxycarbonylamino)-2-methylpropyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoate
CID 53355171
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
(2S)-3-(4-bromophenyl)-2-(ethoxycarbonylamino)propanoic acid
CID 174659281
methyl 3-(4-ethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 59585305
methyl (2R)-2-(butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoate
CID 70253873
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate (CID 134397352) is methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate is CCOC(=O)NC(Cc1ccc(C)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate?
The InChIKey is OKPYSKYJIUMLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-14(17)15-12(13(16)18-3)9-11-7-5-10(2)6-8-11/h5-8,12H,4,9H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate?
methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate has a molecular weight of 265.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 134397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).