4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid

C19H26N2O3 — CID 122027410

IUPAC4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1(NC(=O)NC(CCC(=O)O)Cc2ccccc2)CC=CCC1
InChIInChI=1S/C19H26N2O3/c1-19(12-6-3-7-13-19)21-18(24)20-16(10-11-17(22)23)14-15-8-4-2-5-9-15/h2-6,8-9,16H,7,10-14H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyFWNTWOWFXLSESE-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.26
Rot. Bonds7

About 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122027410) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122027410
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCC1(NC(=O)NC(CCC(=O)O)Cc2ccccc2)CC=CCC1
InChIInChI=1S/C19H26N2O3/c1-19(12-6-3-7-13-19)21-18(24)20-16(10-11-17(22)23)14-15-8-4-2-5-9-15/h2-6,8-9,16H,7,10-14H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyFWNTWOWFXLSESE-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
4-[(2,3-dimethyloxolan-3-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122028162
4-[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122027910
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(1-methylsulfonylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122012564
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1-cyclopropylcyclopropyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122007668
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
4-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoylamino]-5-phenylpentanoic acid
CID 122027630

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122027410) is 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid is CC1(NC(=O)NC(CCC(=O)O)Cc2ccccc2)CC=CCC1.
What is the InChIKey of 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is FWNTWOWFXLSESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(12-6-3-7-13-19)21-18(24)20-16(10-11-17(22)23)14-15-8-4-2-5-9-15/h2-6,8-9,16H,7,10-14H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 330.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclohex-3-en-1-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).