3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid

C14H19NO4 — CID 62821393

IUPAC3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
SMILESCCN(C(=O)OCc1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-15(11(2)9-13(16)17)14(18)19-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyIVJOSVKHOGCLAV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.51
Rot. Bonds6

About 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid

3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid (PubChem CID 62821393) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
PubChem CID62821393
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
SMILESCCN(C(=O)OCc1ccccc1)C(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-15(11(2)9-13(16)17)14(18)19-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyIVJOSVKHOGCLAV-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N,N-dimethylcarbamate
CID 12963450
(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 91613771
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl 3,4-dimethylhexanoate
CID 123356915
benzyl N-ethyl-N-propylcarbamate
CID 126656974
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
(3S,4S)-3-ethoxycarbonyl-4-phenylmethoxycarbonylhexanedioic acid
CID 130401923
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
3-[methoxycarbonyl(methyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 19888342
2-[ethyl(phenylmethoxycarbonyl)amino]-5-methylsulfanylpentanoic acid
CID 103089388

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid (CID 62821393) is 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid is CCN(C(=O)OCc1ccccc1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid?
The InChIKey is IVJOSVKHOGCLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-15(11(2)9-13(16)17)14(18)19-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid?
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid is sourced from PubChem (CID 62821393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).