4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid

C18H26N2O3 — CID 122022295

IUPAC4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C18H26N2O3/c21-17(22)11-6-13-19-18(23)20(16-9-4-5-10-16)14-12-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,19,23)(H,21,22)
InChIKeyLRWBHCCGNIIHFD-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.05
Rot. Bonds8

About 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid

4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid (PubChem CID 122022295) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
PubChem CID122022295
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N(CCc1ccccc1)C1CCCC1
InChIInChI=1S/C18H26N2O3/c21-17(22)11-6-13-19-18(23)20(16-9-4-5-10-16)14-12-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,19,23)(H,21,22)
InChIKeyLRWBHCCGNIIHFD-UHFFFAOYSA-N
XLogP3.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122021626
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]butanoic acid
CID 122021483
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
4-[[2-hydroxyethyl(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]amino]butanoic acid
CID 122022296
7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
CID 102865277
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-cyclopentyl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 86927162
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
N-cyclopentyl-2-(methylamino)-N-(2-phenylethyl)acetamide
CID 119771582
4-[[(4-chlorophenyl)methyl-cyclopropylcarbamoyl]amino]butanoic acid
CID 122021537
N-cyclohexyl-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
CID 563302

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid (CID 122022295) is 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid is O=C(O)CCCNC(=O)N(CCc1ccccc1)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
The InChIKey is LRWBHCCGNIIHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(22)11-6-13-19-18(23)20(16-9-4-5-10-16)14-12-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2,(H,19,23)(H,21,22).
What are the key properties of 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid?
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid has a molecular weight of 318.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 122022295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).