2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid

C11H19NO4 — CID 16771642

IUPAC2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h7-9,13H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyZMSGHODMZQOWFR-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds4

About 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid

2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid (PubChem CID 16771642) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid
PubChem CID16771642
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h7-9,13H,2-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyZMSGHODMZQOWFR-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid (CID 16771642) is 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid is CC(O)C(NC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid?
The InChIKey is ZMSGHODMZQOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(13)9(11(15)16)12-10(14)8-5-3-2-4-6-8/h7-9,13H,2-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid?
2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 16771642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).