4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid

C18H26N2O3 — CID 122011533

IUPAC4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
SMILESCC(C)=CCCNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-14(2)7-6-12-19-18(23)20-16(10-11-17(21)22)13-15-8-4-3-5-9-15/h3-5,7-9,16H,6,10-13H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyRYUTXLCGDJCMBO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.12
Rot. Bonds9

About 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid

4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid (PubChem CID 122011533) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
PubChem CID122011533
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
SMILESCC(C)=CCCNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-14(2)7-6-12-19-18(23)20-16(10-11-17(21)22)13-15-8-4-3-5-9-15/h3-5,7-9,16H,6,10-13H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyRYUTXLCGDJCMBO-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001001
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[3-(2,2-dimethylpropanoylamino)propanoylamino]-5-phenylpentanoic acid
CID 120546957
4-[(2-methoxy-3,3-dimethylbutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028284
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274
4-[(1-methylsulfonylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122012564

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid (CID 122011533) is 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid is CC(C)=CCCNC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid?
The InChIKey is RYUTXLCGDJCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(2)7-6-12-19-18(23)20-16(10-11-17(21)22)13-15-8-4-3-5-9-15/h3-5,7-9,16H,6,10-13H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid?
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122011533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).