2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid

C16H23NO3 — CID 119198466

IUPAC2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
SMILESCCC(CC(=O)N(CC(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-13(14-8-6-5-7-9-14)10-15(18)17(12(2)3)11-16(19)20/h5-9,12-13H,4,10-11H2,1-3H3,(H,19,20)
InChIKeyYIMIYQKWDRYBNV-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.89
Rot. Bonds7

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

2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid (PubChem CID 119198466) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
PubChem CID119198466
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid
SMILESCCC(CC(=O)N(CC(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-13(14-8-6-5-7-9-14)10-15(18)17(12(2)3)11-16(19)20/h5-9,12-13H,4,10-11H2,1-3H3,(H,19,20)
InChIKeyYIMIYQKWDRYBNV-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-methylphenyl)pentanoyl-propan-2-ylamino]acetic acid
CID 119198808
2-[(3-amino-3-phenylpropanoyl)-propan-2-ylamino]acetic acid
CID 61160864
2-[ethyl(3-phenylpentanoyl)amino]acetic acid
CID 119206232
ethane;3-phenylpentanoic acid
CID 142147200
2-[butan-2-yl(3-phenylpent-4-enoyl)amino]acetic acid
CID 120529846
2-[(2-hydroxy-2-phenylacetyl)-propan-2-ylamino]acetic acid
CID 60832237
(3S)-3-phenylpentanoyl chloride
CID 42074098
2-[3-(2-chlorophenyl)sulfanylpropanoyl-propan-2-ylamino]acetic acid
CID 60832198
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
3-amino-N-ethyl-3-phenyl-N-propan-2-ylpropanamide;hydrochloride
CID 119949409

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid (CID 119198466) is 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid is CCC(CC(=O)N(CC(=O)O)C(C)C)c1ccccc1.
What is the InChIKey of 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid?
The InChIKey is YIMIYQKWDRYBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-13(14-8-6-5-7-9-14)10-15(18)17(12(2)3)11-16(19)20/h5-9,12-13H,4,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid?
2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenylpentanoyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 119198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).