4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid

C12H23NO4 — CID 82770886

IUPAC4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO4/c14-7-6-13(9-11(15)8-12(16)17)10-4-2-1-3-5-10/h10-11,14-15H,1-9H2,(H,16,17)
InChIKeyVMSHIAOITVMGBJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.45
Rot. Bonds7

About 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid

4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid (PubChem CID 82770886) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
PubChem CID82770886
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO4/c14-7-6-13(9-11(15)8-12(16)17)10-4-2-1-3-5-10/h10-11,14-15H,1-9H2,(H,16,17)
InChIKeyVMSHIAOITVMGBJ-UHFFFAOYSA-N
XLogP0.45
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
4-[cyclopentyl(methyl)amino]-3-hydroxybutanoic acid
CID 82778087
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
methyl 2-bromo-3-[cyclohexyl(2-hydroxyethyl)amino]propanoate
CID 81100095
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
CID 82850125
4-[3-[cyclohexyl(methyl)amino]propylamino]-3-hydroxybutanoic acid
CID 103240520

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid (CID 82770886) is 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid is O=C(O)CC(O)CN(CCO)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
The InChIKey is VMSHIAOITVMGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c14-7-6-13(9-11(15)8-12(16)17)10-4-2-1-3-5-10/h10-11,14-15H,1-9H2,(H,16,17).
What are the key properties of 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid?
4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82770886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).