4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid

C18H26N2O3 — CID 122028340

IUPAC4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESC=CCCCN(C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-4-8-13-20(2)18(23)19-16(11-12-17(21)22)14-15-9-6-5-7-10-15/h3,5-7,9-10,16H,1,4,8,11-14H2,2H3,(H,19,23)(H,21,22)
InChIKeyNVWAHQMFECVFTM-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.07
Rot. Bonds10

About 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122028340) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122028340
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESC=CCCCN(C)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-3-4-8-13-20(2)18(23)19-16(11-12-17(21)22)14-15-9-6-5-7-10-15/h3,5-7,9-10,16H,1,4,8,11-14H2,2H3,(H,19,23)(H,21,22)
InChIKeyNVWAHQMFECVFTM-UHFFFAOYSA-N
XLogP3.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
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-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[[3-(dimethylamino)phenyl]methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027640
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[methyl-[2-(oxan-4-yl)ethyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122027689
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028421
4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027344
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027362
4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027340
4-[[(4-cyanophenyl)methyl-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027296
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122028340) is 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid is C=CCCCN(C)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is NVWAHQMFECVFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-4-8-13-20(2)18(23)19-16(11-12-17(21)22)14-15-9-6-5-7-10-15/h3,5-7,9-10,16H,1,4,8,11-14H2,2H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122028340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).