methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate

C10H19NO4 — CID 103261473

IUPACmethyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
SMILESCOC(=O)C(NC(C)(CO)CO)C1CC1
InChIInChI=1S/C10H19NO4/c1-10(5-12,6-13)11-8(7-3-4-7)9(14)15-2/h7-8,11-13H,3-6H2,1-2H3
InChIKeyJIAYAMOIUOMNMW-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.73
Rot. Bonds6

About methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate

methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate (PubChem CID 103261473) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
PubChem CID103261473
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
SMILESCOC(=O)C(NC(C)(CO)CO)C1CC1
InChIInChI=1S/C10H19NO4/c1-10(5-12,6-13)11-8(7-3-4-7)9(14)15-2/h7-8,11-13H,3-6H2,1-2H3
InChIKeyJIAYAMOIUOMNMW-UHFFFAOYSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 107853970
methyl 2-cyclopropyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetate
CID 103264509
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 106248351
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106162253
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
methyl 2-(4-hydroxycyclohexyl)-2-(methylamino)acetate
CID 58137906
methyl 2-cyclopropyl-2-(2-methylpropoxyamino)acetate
CID 103261569

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate (CID 103261473) is methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate is COC(=O)C(NC(C)(CO)CO)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate?
The InChIKey is JIAYAMOIUOMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(5-12,6-13)11-8(7-3-4-7)9(14)15-2/h7-8,11-13H,3-6H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate?
methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate has a molecular weight of 217.26 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate is sourced from PubChem (CID 103261473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).