4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid

C16H23NO4 — CID 11572902

IUPAC4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(O)CCCCc1ccccc1
InChIInChI=1S/C16H23NO4/c18-14(16(21)17-12-6-11-15(19)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,14,18H,4-6,9-12H2,(H,17,21)(H,19,20)
InChIKeyUJPDNNYYMOCVSO-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.74
Rot. Bonds10

About 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid

4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid (PubChem CID 11572902) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid
PubChem CID11572902
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C(O)CCCCc1ccccc1
InChIInChI=1S/C16H23NO4/c18-14(16(21)17-12-6-11-15(19)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,14,18H,4-6,9-12H2,(H,17,21)(H,19,20)
InChIKeyUJPDNNYYMOCVSO-UHFFFAOYSA-N
XLogP1.74
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
15-phenylpentadecanoic acid
CID 2737151
(4R)-5-[4-(4-carbamimidoylphenyl)butylamino]-4-hydroxy-5-oxopentanoic acid
CID 15391511
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
2-hydroxy-8-phenyloctanamide
CID 66822616
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
4-[[benzyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122021626
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid?
The IUPAC name of 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid (CID 11572902) is 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid is O=C(O)CCCNC(=O)C(O)CCCCc1ccccc1.
What is the InChIKey of 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid?
The InChIKey is UJPDNNYYMOCVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-14(16(21)17-12-6-11-15(19)20)10-5-4-9-13-7-2-1-3-8-13/h1-3,7-8,14,18H,4-6,9-12H2,(H,17,21)(H,19,20).
What are the key properties of 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid?
4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-6-phenylhexanoyl)amino]butanoic acid is sourced from PubChem (CID 11572902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).