3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid

C13H19NO2 — CID 116938024

IUPAC3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(N)C(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H19NO2/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13(15)16/h5-6,10,12H,14H2,1-4H3,(H,15,16)
InChIKeyRIZPYYSSUGZVDW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid

3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 116938024) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID116938024
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C(N)C(C)C(=O)O)c(C)c1
InChIInChI=1S/C13H19NO2/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13(15)16/h5-6,10,12H,14H2,1-4H3,(H,15,16)
InChIKeyRIZPYYSSUGZVDW-UHFFFAOYSA-N
XLogP2.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
methyl 2-[amino-(2,4,6-trimethylphenyl)methyl]butanoate
CID 116945983
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
2-[(1R)-1-aminoethyl]-3,5-dimethylphenol
CID 55276249

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid (CID 116938024) is 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid is Cc1cc(C)c(C(N)C(C)C(=O)O)c(C)c1.
What is the InChIKey of 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is RIZPYYSSUGZVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-7-5-8(2)11(9(3)6-7)12(14)10(4)13(15)16/h5-6,10,12H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid?
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 116938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).