2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid

C14H22N2O2 — CID 116961134

IUPAC2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
SMILESCNC(C(=O)O)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H22N2O2/c1-8-6-7-11(10(3)9(8)2)12(15-4)13(16-5)14(17)18/h6-7,12-13,15-16H,1-5H3,(H,17,18)
InChIKeyNJPGBBFMQVTOLX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds5

About 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid

2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid (PubChem CID 116961134) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
PubChem CID116961134
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid
SMILESCNC(C(=O)O)C(NC)c1ccc(C)c(C)c1C
InChIInChI=1S/C14H22N2O2/c1-8-6-7-11(10(3)9(8)2)12(15-4)13(16-5)14(17)18/h6-7,12-13,15-16H,1-5H3,(H,17,18)
InChIKeyNJPGBBFMQVTOLX-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-1-(2,3,4-trimethylphenyl)propan-2-one
CID 116955940
3-(2-methoxyphenyl)-2,3-bis(methylamino)propanoic acid
CID 116961127
2-amino-3-(methylamino)-3-(2,3,4-trimethylphenyl)propan-1-ol
CID 116957579
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2,2-dimethyl-4-(methylamino)-4-(2,3,4-trimethylphenyl)butanoic acid
CID 116953757
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
2-[methylamino-(2,3,4-trimethylphenyl)methyl]butanenitrile
CID 116960620
ethyl 2-(methylamino)-2-(2,3,4-trimethylphenyl)acetate
CID 116961364
N'-methyl-2-(2,3,4-trimethylphenyl)propanehydrazide
CID 116847102
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
2-(2-hydroxy-3,4-dimethylphenyl)propanoic acid
CID 83878748
2-amino-3-(2,4-dimethoxy-3-methylphenyl)-3-(methylamino)propanoic acid
CID 116957379

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid?
The IUPAC name of 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid (CID 116961134) is 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid.
What is the SMILES notation for 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid?
The canonical SMILES for 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid is CNC(C(=O)O)C(NC)c1ccc(C)c(C)c1C.
What is the InChIKey of 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid?
The InChIKey is NJPGBBFMQVTOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8-6-7-11(10(3)9(8)2)12(15-4)13(16-5)14(17)18/h6-7,12-13,15-16H,1-5H3,(H,17,18).
What are the key properties of 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid?
2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylamino)-3-(2,3,4-trimethylphenyl)propanoic acid is sourced from PubChem (CID 116961134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).