6-oxo-6-(3-phenylpropylamino)hexanoic acid

C15H21NO3 — CID 60913632

IUPAC6-oxo-6-(3-phenylpropylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H21NO3/c17-14(10-4-5-11-15(18)19)16-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)(H,18,19)
InChIKeyYHCYBTJKOUREKQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds9

About 6-oxo-6-(3-phenylpropylamino)hexanoic acid

6-oxo-6-(3-phenylpropylamino)hexanoic acid (PubChem CID 60913632) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-oxo-6-(3-phenylpropylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(3-phenylpropylamino)hexanoic acid
PubChem CID60913632
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name6-oxo-6-(3-phenylpropylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H21NO3/c17-14(10-4-5-11-15(18)19)16-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)(H,18,19)
InChIKeyYHCYBTJKOUREKQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
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

8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
N-(3-phenylpropyl)-3-sulfanylpropanamide
CID 107023597
N-(4-phenylbutyl)hexanamide
CID 4985988
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
3-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpropanoic acid
CID 43091329
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
15-phenylpentadecanoic acid
CID 2737151
4-[4-(4-propylphenyl)butanoylamino]butanoic acid
CID 82224500
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(3-phenylpropylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(3-phenylpropylamino)hexanoic acid (CID 60913632) is 6-oxo-6-(3-phenylpropylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(3-phenylpropylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(3-phenylpropylamino)hexanoic acid is O=C(O)CCCCC(=O)NCCCc1ccccc1.
What is the InChIKey of 6-oxo-6-(3-phenylpropylamino)hexanoic acid?
The InChIKey is YHCYBTJKOUREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(10-4-5-11-15(18)19)16-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)(H,18,19).
What are the key properties of 6-oxo-6-(3-phenylpropylamino)hexanoic acid?
6-oxo-6-(3-phenylpropylamino)hexanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(3-phenylpropylamino)hexanoic acid is sourced from PubChem (CID 60913632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).