5-(1-phenylpropan-2-ylamino)pentanoic acid

C14H21NO2 — CID 103250470

IUPAC5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NCCCCC(=O)O
InChIInChI=1S/C14H21NO2/c1-12(11-13-7-3-2-4-8-13)15-10-6-5-9-14(16)17/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyXFEWJZBXZUSDOL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds8

About 5-(1-phenylpropan-2-ylamino)pentanoic acid

5-(1-phenylpropan-2-ylamino)pentanoic acid (PubChem CID 103250470) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(1-phenylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(1-phenylpropan-2-ylamino)pentanoic acid
PubChem CID103250470
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-(1-phenylpropan-2-ylamino)pentanoic acid
SMILESCC(Cc1ccccc1)NCCCCC(=O)O
InChIInChI=1S/C14H21NO2/c1-12(11-13-7-3-2-4-8-13)15-10-6-5-9-14(16)17/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyXFEWJZBXZUSDOL-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
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

N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
N,N-dimethyl-3-(1-phenylpropan-2-ylamino)propanamide
CID 63011400
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
(1-phenylpropan-2-ylamino)methanol
CID 54463712
5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
CID 103266088
5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(1-phenylpropan-2-ylamino)pentanoic acid (CID 103250470) is 5-(1-phenylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(1-phenylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(1-phenylpropan-2-ylamino)pentanoic acid is CC(Cc1ccccc1)NCCCCC(=O)O.
What is the InChIKey of 5-(1-phenylpropan-2-ylamino)pentanoic acid?
The InChIKey is XFEWJZBXZUSDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(11-13-7-3-2-4-8-13)15-10-6-5-9-14(16)17/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of 5-(1-phenylpropan-2-ylamino)pentanoic acid?
5-(1-phenylpropan-2-ylamino)pentanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 103250470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).