methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate

C11H19NO4 — CID 4243111

IUPACmethyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO4/c1-16-11(15)9(7-13)12-10(14)8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3,(H,12,14)
InChIKeyQXQVMASLXYZEKT-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.22
Rot. Bonds4

About methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate

methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate (PubChem CID 4243111) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate
PubChem CID4243111
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCCC1
InChIInChI=1S/C11H19NO4/c1-16-11(15)9(7-13)12-10(14)8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3,(H,12,14)
InChIKeyQXQVMASLXYZEKT-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate (CID 4243111) is methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)C1CCCCC1.
What is the InChIKey of methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate?
The InChIKey is QXQVMASLXYZEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-11(15)9(7-13)12-10(14)8-5-3-2-4-6-8/h8-9,13H,2-7H2,1H3,(H,12,14).
What are the key properties of methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate?
methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate has a molecular weight of 229.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexanecarbonylamino)-3-hydroxypropanoate is sourced from PubChem (CID 4243111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).