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

C10H19NO5 — CID 107853970

IUPACmethyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
SMILESCOC(=O)C(NC(CO)(CO)CO)C1CC1
InChIInChI=1S/C10H19NO5/c1-16-9(15)8(7-2-3-7)11-10(4-12,5-13)6-14/h7-8,11-14H,2-6H2,1H3
InChIKeyARSBVOHQJSVYCT-UHFFFAOYSA-N
MW233.26 g/mol
LogP-1.76
Rot. Bonds7

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

methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate (PubChem CID 107853970) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
PubChem CID107853970
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Namemethyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
SMILESCOC(=O)C(NC(CO)(CO)CO)C1CC1
InChIInChI=1S/C10H19NO5/c1-16-9(15)8(7-2-3-7)11-10(4-12,5-13)6-14/h7-8,11-14H,2-6H2,1H3
InChIKeyARSBVOHQJSVYCT-UHFFFAOYSA-N
XLogP-1.76
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-cyclopropyl-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]acetate
CID 103261473
methyl 2-cyclopropyl-2-[(1-methoxy-2-methylpropan-2-yl)amino]acetate
CID 103264509
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 103255210
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-[(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
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
CID 103258992

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate (CID 107853970) is methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate is COC(=O)C(NC(CO)(CO)CO)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The InChIKey is ARSBVOHQJSVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-16-9(15)8(7-2-3-7)11-10(4-12,5-13)6-14/h7-8,11-14H,2-6H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate has a molecular weight of 233.26 g/mol, XLogP of -1.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate is sourced from PubChem (CID 107853970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).