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

C13H25NO2 — CID 112681935

IUPAC3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
SMILESCC1(C)CC(NCCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-12(2)7-10(8-13(3,4)9-12)14-6-5-11(15)16/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyQTGFVEYSONGPBD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.66
Rot. Bonds4

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

3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid (PubChem CID 112681935) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
PubChem CID112681935
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
SMILESCC1(C)CC(NCCC(=O)O)CC(C)(C)C1
InChIInChI=1S/C13H25NO2/c1-12(2)7-10(8-13(3,4)9-12)14-6-5-11(15)16/h10,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyQTGFVEYSONGPBD-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N'-hydroxy-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanimidamide
CID 113359696
3-[(4,4-dimethylcycloheptyl)amino]propanoic acid
CID 65084019
1-morpholin-4-yl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-one
CID 103991059
1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
CID 112682262
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
N-but-3-enyl-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966111
N-cyclopropyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]acetamide
CID 112681962
2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
CID 103965500

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid (CID 112681935) is 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid is CC1(C)CC(NCCC(=O)O)CC(C)(C)C1.
What is the InChIKey of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
The InChIKey is QTGFVEYSONGPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)7-10(8-13(3,4)9-12)14-6-5-11(15)16/h10,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid?
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 112681935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).