2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid

C16H23NO3 — CID 119225136

IUPAC2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(C)(C)CCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-12(14(18)19)17-15(20)16(2,3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySZLRDGFXKHWXLL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.62
Rot. Bonds7

About 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid

2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid (PubChem CID 119225136) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
PubChem CID119225136
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(C)(C)CCCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-12(14(18)19)17-15(20)16(2,3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySZLRDGFXKHWXLL-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2,2-dimethyl-5-phenylpentanamide
CID 119382289
3-[(2,2-dimethyl-5-phenylpentanoyl)-methylamino]-2-methylpropanoic acid
CID 119228008
N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
CID 111121758
(2S)-2-(5-phenylpentylamino)propanoic acid
CID 70498389
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N,N,2,2-tetramethyl-7-phenylheptanamide
CID 142211557
(2S)-2-[(2-methoxy-2-phenylpropanoyl)amino]propanoic acid
CID 119238650

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid?
The IUPAC name of 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid (CID 119225136) is 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid is CC(NC(=O)C(C)(C)CCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid?
The InChIKey is SZLRDGFXKHWXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(14(18)19)17-15(20)16(2,3)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid?
2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid is sourced from PubChem (CID 119225136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).