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

C7H15NO5 — CID 54443820

IUPACmethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
SMILESCOC(=O)CNC(CO)(CO)CO
InChIInChI=1S/C7H15NO5/c1-13-6(12)2-8-7(3-9,4-10)5-11/h8-11H,2-5H2,1H3
InChIKeyWQAXXBWGIZMZNL-UHFFFAOYSA-N
MW193.20 g/mol
LogP-2.54
Rot. Bonds6

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

methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate (PubChem CID 54443820) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
PubChem CID54443820
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Namemethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
SMILESCOC(=O)CNC(CO)(CO)CO
InChIInChI=1S/C7H15NO5/c1-13-6(12)2-8-7(3-9,4-10)5-11/h8-11H,2-5H2,1H3
InChIKeyWQAXXBWGIZMZNL-UHFFFAOYSA-N
XLogP-2.54
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 18320032
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-methylbut-2-enoic acid
CID 107853982
2-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]prop-2-enoic acid
CID 107853969
azane;methyl 2-(methylamino)acetate
CID 87200278
2-(diazonioamino)-1-methoxy-1-oxoethane
CID 89160852
methyl 2-(tritylamino)acetate
CID 637611
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate (CID 54443820) is methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate is COC(=O)CNC(CO)(CO)CO.
What is the InChIKey of methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
The InChIKey is WQAXXBWGIZMZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c1-13-6(12)2-8-7(3-9,4-10)5-11/h8-11H,2-5H2,1H3.
What are the key properties of methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate?
methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate has a molecular weight of 193.20 g/mol, XLogP of -2.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate is sourced from PubChem (CID 54443820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).