5-(2-phenylpropylcarbamoylamino)hexanoic acid

C16H24N2O3 — CID 104592008

IUPAC5-(2-phenylpropylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(14-8-4-3-5-9-14)11-17-16(21)18-13(2)7-6-10-15(19)20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyONTUDWGAOKQRKM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds8

About 5-(2-phenylpropylcarbamoylamino)hexanoic acid

5-(2-phenylpropylcarbamoylamino)hexanoic acid (PubChem CID 104592008) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(2-phenylpropylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(2-phenylpropylcarbamoylamino)hexanoic acid
PubChem CID104592008
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-(2-phenylpropylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(14-8-4-3-5-9-14)11-17-16(21)18-13(2)7-6-10-15(19)20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyONTUDWGAOKQRKM-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-phenylpropylcarbamoylamino)butanoic acid
CID 103994310
4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974
5-(2,3-dimethoxypropylcarbamoylamino)hexanoic acid
CID 114101270
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
(2S)-2-hydroxy-3-(2-phenylpropylcarbamoylamino)propanoic acid
CID 107840975
6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpropylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(2-phenylpropylcarbamoylamino)hexanoic acid (CID 104592008) is 5-(2-phenylpropylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(2-phenylpropylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(2-phenylpropylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 5-(2-phenylpropylcarbamoylamino)hexanoic acid?
The InChIKey is ONTUDWGAOKQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(14-8-4-3-5-9-14)11-17-16(21)18-13(2)7-6-10-15(19)20/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-(2-phenylpropylcarbamoylamino)hexanoic acid?
5-(2-phenylpropylcarbamoylamino)hexanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpropylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 104592008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).