3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid

C14H27NO2 — CID 43087714

IUPAC3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid
SMILESCCC(C)(C)C1CCC(NCCC(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-14(2,3)11-5-7-12(8-6-11)15-10-9-13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyBBGIVEOQIBGBNJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds6

About 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid

3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid (PubChem CID 43087714) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid
PubChem CID43087714
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid
SMILESCCC(C)(C)C1CCC(NCCC(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-14(2,3)11-5-7-12(8-6-11)15-10-9-13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyBBGIVEOQIBGBNJ-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid with MolForge

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Related Compounds

3-[(5-Amino-1,3,3-trimethylcyclohexyl)methylamino]propanoic acid
CID 56842384
3,3,3-Trifluoro-2-[[(4-methylcyclohexyl)amino]methyl]propanoic acid
CID 103234015
2-[[(4-Ethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103243804
3,3,3-Trifluoro-2-[[(4-propylcyclohexyl)amino]methyl]propanoic acid
CID 103245659
2-[(1-Cyclohexylethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103249956
2-[[(3,4-Dimethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103253357
2-[[(4,4-Dimethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103253397
2-[[(2,2-Dimethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103256625
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103257526
2-[[[(1R)-1-cyclohexylethyl]amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103257568
2-[[(3,3-Dimethylcyclohexyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 103259397
3,3,3-Trifluoro-2-[[(2-propan-2-ylcyclohexyl)amino]methyl]propanoic acid
CID 103262003

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid?
The IUPAC name of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid (CID 43087714) is 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid is CCC(C)(C)C1CCC(NCCC(=O)O)CC1.
What is the InChIKey of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid?
The InChIKey is BBGIVEOQIBGBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-14(2,3)11-5-7-12(8-6-11)15-10-9-13(16)17/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid?
3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propanoic acid is sourced from PubChem (CID 43087714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).