ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate

C14H19NO4 — CID 59729658

IUPACethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
SMILESCCOC(=O)C(C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-4-18-13(16)11(2)15(3)14(17)19-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyYGGROQATNCWCTR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate

ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate (PubChem CID 59729658) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
PubChem CID59729658
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
SMILESCCOC(=O)C(C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-4-18-13(16)11(2)15(3)14(17)19-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyYGGROQATNCWCTR-UHFFFAOYSA-N
XLogP2.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
CID 10383504
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
6-[methyl(phenylmethoxycarbonyl)amino]heptanoic acid
CID 57011998
benzyl N-methyl-N-(1-oxohexan-2-yl)carbamate
CID 78143144
(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 91613771

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate (CID 59729658) is ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate is CCOC(=O)C(C)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate?
The InChIKey is YGGROQATNCWCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-13(16)11(2)15(3)14(17)19-10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate?
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate is sourced from PubChem (CID 59729658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).