3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid

C13H25NO3 — CID 82329620

IUPAC3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCO)C1CCCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-11(13(16)17)10-14(8-9-15)12-6-4-2-3-5-7-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyMHXODIGVILUXJN-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.72
Rot. Bonds6

About 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid

3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid (PubChem CID 82329620) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
PubChem CID82329620
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CCO)C1CCCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-11(13(16)17)10-14(8-9-15)12-6-4-2-3-5-7-12/h11-12,15H,2-10H2,1H3,(H,16,17)
InChIKeyMHXODIGVILUXJN-UHFFFAOYSA-N
XLogP1.72
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 82770886
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
3-[cyclopentyl(2-morpholin-4-ylethyl)amino]-2-methylpropanoic acid
CID 82330480
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
methyl 2-bromo-3-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 81100095
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid (CID 82329620) is 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid is CC(CN(CCO)C1CCCCCC1)C(=O)O.
What is the InChIKey of 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The InChIKey is MHXODIGVILUXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-11(13(16)17)10-14(8-9-15)12-6-4-2-3-5-7-12/h11-12,15H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82329620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).