4-amino-2,3-dimethyl-2-phenylbutanoic acid

C12H17NO2 — CID 143150739

IUPAC4-amino-2,3-dimethyl-2-phenylbutanoic acid
SMILESCC(CN)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(8-13)12(2,11(14)15)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15)
InChIKeyIVCSDSNLSZVHJY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.62
Rot. Bonds4

About 4-amino-2,3-dimethyl-2-phenylbutanoic acid

4-amino-2,3-dimethyl-2-phenylbutanoic acid (PubChem CID 143150739) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-amino-2,3-dimethyl-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-amino-2,3-dimethyl-2-phenylbutanoic acid
PubChem CID143150739
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-amino-2,3-dimethyl-2-phenylbutanoic acid
SMILESCC(CN)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(8-13)12(2,11(14)15)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15)
InChIKeyIVCSDSNLSZVHJY-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
4-amino-N-ethyl-2,3-dimethyl-2-phenylbutanamide;methanol
CID 143150724
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
2,3-dimethyl-2,4-diphenylbutanamide
CID 67173479
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
2-(aminomethyl)-3-methyl-3-phenylbutanamide
CID 139627038
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
2-amino-3,5-dimethyl-2-phenylhexanoic acid
CID 175058551
(2R)-2,4-dimethyl-4-phenylpentan-1-amine
CID 42077880
2-(1-amino-2-phenylpropan-2-yl)sulfonylpropanedioic acid
CID 175173327
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dimethyl-2-phenylbutanoic acid?
The IUPAC name of 4-amino-2,3-dimethyl-2-phenylbutanoic acid (CID 143150739) is 4-amino-2,3-dimethyl-2-phenylbutanoic acid.
What is the SMILES notation for 4-amino-2,3-dimethyl-2-phenylbutanoic acid?
The canonical SMILES for 4-amino-2,3-dimethyl-2-phenylbutanoic acid is CC(CN)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 4-amino-2,3-dimethyl-2-phenylbutanoic acid?
The InChIKey is IVCSDSNLSZVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(8-13)12(2,11(14)15)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-2,3-dimethyl-2-phenylbutanoic acid?
4-amino-2,3-dimethyl-2-phenylbutanoic acid has a molecular weight of 207.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dimethyl-2-phenylbutanoic acid is sourced from PubChem (CID 143150739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).