methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate

C10H19NO3 — CID 58137906

IUPACmethyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)C1CCC(O)CC1
InChIInChI=1S/C10H19NO3/c1-11-9(10(13)14-2)7-3-5-8(12)6-4-7/h7-9,11-12H,3-6H2,1-2H3
InChIKeyKGXPHNZYYFDGIN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds3

About methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate

methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate (PubChem CID 58137906) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
PubChem CID58137906
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
SMILESCNC(C(=O)OC)C1CCC(O)CC1
InChIInChI=1S/C10H19NO3/c1-11-9(10(13)14-2)7-3-5-8(12)6-4-7/h7-9,11-12H,3-6H2,1-2H3
InChIKeyKGXPHNZYYFDGIN-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
methyl 2-cyclopropyl-2-(oxetan-3-ylamino)acetate
CID 103256848
methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 107853970
methyl 2-cyclopropyl-2-[(2,2-dimethylcyclopropyl)amino]acetate
CID 103244098
2-amino-3-(4-hydroxycyclohexyl)-3-methoxypropanoic acid
CID 167112921
methyl 2-cyclopropyl-2-(2-methylpropoxyamino)acetate
CID 103261569
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473
methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
CID 103239258
methyl 2-cyclopropyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetate
CID 103264509
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate?
The IUPAC name of methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate (CID 58137906) is methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate.
What is the SMILES notation for methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate?
The canonical SMILES for methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate is CNC(C(=O)OC)C1CCC(O)CC1.
What is the InChIKey of methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate?
The InChIKey is KGXPHNZYYFDGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11-9(10(13)14-2)7-3-5-8(12)6-4-7/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate?
methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate is sourced from PubChem (CID 58137906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).