2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid

C14H27NO2 — CID 103966158

IUPAC2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
SMILESCC(CNC1CC(C)(C)CC(C)(C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-10(12(16)17)8-15-11-6-13(2,3)9-14(4,5)7-11/h10-11,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyBHRZRBJFYHTPCY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.90
Rot. Bonds4

About 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid

2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid (PubChem CID 103966158) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
PubChem CID103966158
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
SMILESCC(CNC1CC(C)(C)CC(C)(C)C1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-10(12(16)17)8-15-11-6-13(2,3)9-14(4,5)7-11/h10-11,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyBHRZRBJFYHTPCY-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 113359608
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968092
methyl 2-bromo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 103263743
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103991359
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103499115
1-propan-2-yloxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103966285
N-methyl-N-propan-2-yl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]acetamide
CID 103966125
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
CID 61044220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid (CID 103966158) is 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid is CC(CNC1CC(C)(C)CC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
The InChIKey is BHRZRBJFYHTPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(12(16)17)8-15-11-6-13(2,3)9-14(4,5)7-11/h10-11,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid has a molecular weight of 241.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 103966158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).