3-(5-phenylpentylcarbamoylamino)propanoic acid

C15H22N2O3 — CID 122000469

IUPAC3-(5-phenylpentylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-14(19)10-12-17-15(20)16-11-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,19)(H2,16,17,20)
InChIKeyPYPLTUIYQHLMKQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds9

About 3-(5-phenylpentylcarbamoylamino)propanoic acid

3-(5-phenylpentylcarbamoylamino)propanoic acid (PubChem CID 122000469) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(5-phenylpentylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(5-phenylpentylcarbamoylamino)propanoic acid
PubChem CID122000469
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(5-phenylpentylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)NCCCCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-14(19)10-12-17-15(20)16-11-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,19)(H2,16,17,20)
InChIKeyPYPLTUIYQHLMKQ-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
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

4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
3-(6-phenylhexylamino)propanoic acid
CID 19811158
8-phenyloctylcarbamic acid
CID 90271205
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
3-[(2,2-dimethyl-5-phenylpentyl)carbamoylamino]propanoic acid
CID 122002181
15-phenylpentadecanoic acid
CID 2737151
1-(phenoxymethyl)-3-(4-phenylbutyl)urea
CID 108889088
3-[[3-(3-phenylpropyl)phenyl]carbamoylamino]propanoic acid
CID 122078849
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylpentylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(5-phenylpentylcarbamoylamino)propanoic acid (CID 122000469) is 3-(5-phenylpentylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(5-phenylpentylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(5-phenylpentylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)NCCCCCc1ccccc1.
What is the InChIKey of 3-(5-phenylpentylcarbamoylamino)propanoic acid?
The InChIKey is PYPLTUIYQHLMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(19)10-12-17-15(20)16-11-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,19)(H2,16,17,20).
What are the key properties of 3-(5-phenylpentylcarbamoylamino)propanoic acid?
3-(5-phenylpentylcarbamoylamino)propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylpentylcarbamoylamino)propanoic acid is sourced from PubChem (CID 122000469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).