2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid

C14H21NO2 — CID 104591356

IUPAC2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
SMILESCC(CNCC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(12-7-5-4-6-8-12)9-15-10-14(2,3)13(16)17/h4-8,11,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyCWNXEAPOVBWSLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds6

About 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid

2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid (PubChem CID 104591356) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
PubChem CID104591356
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid
SMILESCC(CNCC(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(12-7-5-4-6-8-12)9-15-10-14(2,3)13(16)17/h4-8,11,15H,9-10H2,1-3H3,(H,16,17)
InChIKeyCWNXEAPOVBWSLT-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
2,2-dimethyl-4-(methylamino)-4-phenylbutanoic acid
CID 116953706
4-[2-(4-methoxyphenyl)propylamino]-2,2-dimethylbutanoic acid
CID 122127156
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid (CID 104591356) is 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid is CC(CNCC(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid?
The InChIKey is CWNXEAPOVBWSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-7-5-4-6-8-12)9-15-10-14(2,3)13(16)17/h4-8,11,15H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid?
2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-phenylpropylamino)propanoic acid is sourced from PubChem (CID 104591356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).