5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid

C14H18N2O4 — CID 28931773

IUPAC5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCc1ccccc1
InChIInChI=1S/C14H18N2O4/c17-12(7-4-8-13(18)19)16-14(20)15-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,18,19)(H2,15,16,17,20)
InChIKeyHLGZDFPBYASIBA-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds7

About 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid

5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid (PubChem CID 28931773) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
PubChem CID28931773
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCc1ccccc1
InChIInChI=1S/C14H18N2O4/c17-12(7-4-8-13(18)19)16-14(20)15-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,18,19)(H2,15,16,17,20)
InChIKeyHLGZDFPBYASIBA-UHFFFAOYSA-N
XLogP1.31
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-phenylethylcarbamoyl)propanamide
CID 43146230
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
5-oxo-5-(2-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 61477594
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
4-oxo-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 60914981
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106177489
5-[2-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 94693925
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
4-[2-(3-methoxyphenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107855890
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid (CID 28931773) is 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid is O=C(O)CCCC(=O)NC(=O)NCCc1ccccc1.
What is the InChIKey of 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid?
The InChIKey is HLGZDFPBYASIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(7-4-8-13(18)19)16-14(20)15-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid?
5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 28931773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).