4-(cyclohexylmethylamino)-3-hydroxybutanoic acid

C11H21NO3 — CID 103237864

IUPAC4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNCC1CCCCC1
InChIInChI=1S/C11H21NO3/c13-10(6-11(14)15)8-12-7-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)
InChIKeyBYSWOBQXCIABPY-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds6

About 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid

4-(cyclohexylmethylamino)-3-hydroxybutanoic acid (PubChem CID 103237864) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
PubChem CID103237864
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)CNCC1CCCCC1
InChIInChI=1S/C11H21NO3/c13-10(6-11(14)15)8-12-7-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)
InChIKeyBYSWOBQXCIABPY-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylmethylamino)propane-1,2-diol
CID 66176972
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462
(2S)-1-(cyclohexylmethylamino)-5-methylhexan-2-ol
CID 54336883
methyl 5-(cyclopentylmethylamino)-4-hydroxypentanoate
CID 115123592
4-[3-[cyclohexyl(methyl)amino]propylamino]-3-hydroxybutanoic acid
CID 103240520
3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
CID 115256149
3-(cyclopentylmethylamino)butanoic acid
CID 43536958
8-cyclohexyl-3-hydroxyoctanoic acid
CID 123754175
1-(cyclohexylmethylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60633651

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid?
The IUPAC name of 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid (CID 103237864) is 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid is O=C(O)CC(O)CNCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid?
The InChIKey is BYSWOBQXCIABPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c13-10(6-11(14)15)8-12-7-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15).
What are the key properties of 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid?
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 103237864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).