2-[pentyl(1-phenylethyl)amino]acetic acid

C15H23NO2 — CID 70551743

IUPAC2-[pentyl(1-phenylethyl)amino]acetic acid
SMILESCCCCCN(CC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-4-8-11-16(12-15(17)18)13(2)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKeyQCIUOUZKCKPYOL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.32
Rot. Bonds8

About 2-[pentyl(1-phenylethyl)amino]acetic acid

2-[pentyl(1-phenylethyl)amino]acetic acid (PubChem CID 70551743) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[pentyl(1-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pentyl(1-phenylethyl)amino]acetic acid
PubChem CID70551743
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[pentyl(1-phenylethyl)amino]acetic acid
SMILESCCCCCN(CC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-4-8-11-16(12-15(17)18)13(2)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18)
InChIKeyQCIUOUZKCKPYOL-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1R)-2-hydroxy-1-phenylethyl]-undecylamino]acetic acid
CID 101244047
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
CID 107426164
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
3-[benzyl(octyl)amino]-4-methylpentanoic acid
CID 23067239
1-phenylethyl(propyl)carbamic acid
CID 57360234

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl(1-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[pentyl(1-phenylethyl)amino]acetic acid (CID 70551743) is 2-[pentyl(1-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[pentyl(1-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[pentyl(1-phenylethyl)amino]acetic acid is CCCCCN(CC(=O)O)C(C)c1ccccc1.
What is the InChIKey of 2-[pentyl(1-phenylethyl)amino]acetic acid?
The InChIKey is QCIUOUZKCKPYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-8-11-16(12-15(17)18)13(2)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[pentyl(1-phenylethyl)amino]acetic acid?
2-[pentyl(1-phenylethyl)amino]acetic acid has a molecular weight of 249.35 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl(1-phenylethyl)amino]acetic acid is sourced from PubChem (CID 70551743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).