2-amino-4-cyclohexyl-4-hydroxybutanoic acid

C10H19NO3 — CID 11997563

IUPAC2-amino-4-cyclohexyl-4-hydroxybutanoic acid
SMILESNC(CC(O)C1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)
InChIKeyXZRBRWGUCNOXAR-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-4-cyclohexyl-4-hydroxybutanoic acid

2-amino-4-cyclohexyl-4-hydroxybutanoic acid (PubChem CID 11997563) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-4-cyclohexyl-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-amino-4-cyclohexyl-4-hydroxybutanoic acid
PubChem CID11997563
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-amino-4-cyclohexyl-4-hydroxybutanoic acid
SMILESNC(CC(O)C1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)
InChIKeyXZRBRWGUCNOXAR-UHFFFAOYSA-N
XLogP0.73
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexyl-4-hydroxybutanoic acid?
The IUPAC name of 2-amino-4-cyclohexyl-4-hydroxybutanoic acid (CID 11997563) is 2-amino-4-cyclohexyl-4-hydroxybutanoic acid.
What is the SMILES notation for 2-amino-4-cyclohexyl-4-hydroxybutanoic acid?
The canonical SMILES for 2-amino-4-cyclohexyl-4-hydroxybutanoic acid is NC(CC(O)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-cyclohexyl-4-hydroxybutanoic acid?
The InChIKey is XZRBRWGUCNOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14).
What are the key properties of 2-amino-4-cyclohexyl-4-hydroxybutanoic acid?
2-amino-4-cyclohexyl-4-hydroxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexyl-4-hydroxybutanoic acid is sourced from PubChem (CID 11997563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).