4-(5-phenylpentylcarbamoylamino)butanoic acid

C16H24N2O3 — CID 122000470

IUPAC4-(5-phenylpentylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c19-15(20)11-7-13-18-16(21)17-12-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,19,20)(H2,17,18,21)
InChIKeyOJZXEMSFDQQOPI-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds10

About 4-(5-phenylpentylcarbamoylamino)butanoic acid

4-(5-phenylpentylcarbamoylamino)butanoic acid (PubChem CID 122000470) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(5-phenylpentylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name4-(5-phenylpentylcarbamoylamino)butanoic acid
PubChem CID122000470
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(5-phenylpentylcarbamoylamino)butanoic acid
SMILESO=C(O)CCCNC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c19-15(20)11-7-13-18-16(21)17-12-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,19,20)(H2,17,18,21)
InChIKeyOJZXEMSFDQQOPI-UHFFFAOYSA-N
XLogP2.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
15-phenylpentadecanoic acid
CID 2737151
8-phenyloctylcarbamic acid
CID 90271205
3-(6-phenylhexylamino)propanoic acid
CID 19811158
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid
CID 11572902
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 61182399
1-(phenoxymethyl)-3-(4-phenylbutyl)urea
CID 108889088
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpentylcarbamoylamino)butanoic acid?
The IUPAC name of 4-(5-phenylpentylcarbamoylamino)butanoic acid (CID 122000470) is 4-(5-phenylpentylcarbamoylamino)butanoic acid.
What is the SMILES notation for 4-(5-phenylpentylcarbamoylamino)butanoic acid?
The canonical SMILES for 4-(5-phenylpentylcarbamoylamino)butanoic acid is O=C(O)CCCNC(=O)NCCCCCc1ccccc1.
What is the InChIKey of 4-(5-phenylpentylcarbamoylamino)butanoic acid?
The InChIKey is OJZXEMSFDQQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15(20)11-7-13-18-16(21)17-12-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-(5-phenylpentylcarbamoylamino)butanoic acid?
4-(5-phenylpentylcarbamoylamino)butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpentylcarbamoylamino)butanoic acid is sourced from PubChem (CID 122000470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).