2-[ethyl(3-phenylpentanoyl)amino]acetic acid

C15H21NO3 — CID 119206232

IUPAC2-[ethyl(3-phenylpentanoyl)amino]acetic acid
SMILESCCC(CC(=O)N(CC)CC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-12(13-8-6-5-7-9-13)10-14(17)16(4-2)11-15(18)19/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKeyBZGSHQPPCLKHSZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds7

About 2-[ethyl(3-phenylpentanoyl)amino]acetic acid

2-[ethyl(3-phenylpentanoyl)amino]acetic acid (PubChem CID 119206232) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[ethyl(3-phenylpentanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3-phenylpentanoyl)amino]acetic acid
PubChem CID119206232
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[ethyl(3-phenylpentanoyl)amino]acetic acid
SMILESCCC(CC(=O)N(CC)CC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-12(13-8-6-5-7-9-13)10-14(17)16(4-2)11-15(18)19/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19)
InChIKeyBZGSHQPPCLKHSZ-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
CID 119198466
ethane;3-phenylpentanoic acid
CID 142147200
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
2-[3-(4-methoxyphenyl)pentanoyl-propylamino]acetic acid
CID 120686453
(3S)-3-phenylpentanoyl chloride
CID 42074098
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
(3R)-1,3-diphenylpentan-1-one
CID 11042799
2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
CID 119198808
2,2-dimethyl-5-phenylheptan-3-one
CID 15091945
3-[methyl(2-phenylbutyl)amino]propanoic acid
CID 122037378
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
3-[ethyl(2-phenylbutyl)amino]-2-methyl-3-oxopropanoic acid
CID 122066509

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-phenylpentanoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3-phenylpentanoyl)amino]acetic acid (CID 119206232) is 2-[ethyl(3-phenylpentanoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3-phenylpentanoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3-phenylpentanoyl)amino]acetic acid is CCC(CC(=O)N(CC)CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[ethyl(3-phenylpentanoyl)amino]acetic acid?
The InChIKey is BZGSHQPPCLKHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12(13-8-6-5-7-9-13)10-14(17)16(4-2)11-15(18)19/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[ethyl(3-phenylpentanoyl)amino]acetic acid?
2-[ethyl(3-phenylpentanoyl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-phenylpentanoyl)amino]acetic acid is sourced from PubChem (CID 119206232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).