methyl 2-[cyclohexyl(propan-2-yl)amino]acetate

C12H23NO2 — CID 62025887

IUPACmethyl 2-[cyclohexyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(C)C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)13(9-12(14)15-3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeyAZODUYCVPJYENO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds4

About methyl 2-[cyclohexyl(propan-2-yl)amino]acetate

methyl 2-[cyclohexyl(propan-2-yl)amino]acetate (PubChem CID 62025887) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[cyclohexyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclohexyl(propan-2-yl)amino]acetate
PubChem CID62025887
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[cyclohexyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(C(C)C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)13(9-12(14)15-3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3
InChIKeyAZODUYCVPJYENO-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cyclopentyl(pentan-3-yl)amino]acetate
CID 115536847
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[cycloheptanecarbonyl(propan-2-yl)amino]acetate
CID 62589837
methyl 2-[cyclopentyl(2-methylpropylsulfonyl)amino]acetate
CID 80707967
methyl 2-[cyclopentyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 115536220
methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
CID 113330694
methyl 2-[[2-[(3-hydroxy-2-oxopropyl)-(2-hydroxypropan-2-yl)amino]cyclohexyl]-propan-2-ylamino]acetate
CID 170057676
methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate
CID 114623837
methyl 2-[cyclopentanecarbonyl(propan-2-yl)amino]acetate
CID 55028562
methyl 2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetate
CID 54945823
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
CID 59205246
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[cyclohexyl(propan-2-yl)amino]acetate (CID 62025887) is methyl 2-[cyclohexyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclohexyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[cyclohexyl(propan-2-yl)amino]acetate is COC(=O)CN(C(C)C)C1CCCCC1.
What is the InChIKey of methyl 2-[cyclohexyl(propan-2-yl)amino]acetate?
The InChIKey is AZODUYCVPJYENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)13(9-12(14)15-3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-[cyclohexyl(propan-2-yl)amino]acetate?
methyl 2-[cyclohexyl(propan-2-yl)amino]acetate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62025887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).