2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

C9H20N2O5 — CID 160845972

IUPAC2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC(N)(CO)CO.CC1(CO)COC(=O)N1
InChIInChI=1S/C5H9NO3.C4H11NO2/c1-5(2-7)3-9-4(8)6-5;1-4(5,2-6)3-7/h7H,2-3H2,1H3,(H,6,8);6-7H,2-3,5H2,1H3
InChIKeySIQMWSHVMOESQZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.83
Rot. Bonds3

About 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one

2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 160845972) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID160845972
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC(N)(CO)CO.CC1(CO)COC(=O)N1
InChIInChI=1S/C5H9NO3.C4H11NO2/c1-5(2-7)3-9-4(8)6-5;1-4(5,2-6)3-7/h7H,2-3H2,1H3,(H,6,8);6-7H,2-3,5H2,1H3
InChIKeySIQMWSHVMOESQZ-UHFFFAOYSA-N
XLogP-1.83
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-4-(sulfanylmethyl)-1,3-oxazolidin-2-one
CID 86665538
(4R)-4-methyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidin-2-one
CID 129409253
4-(3-aminopropyl)-4-methyl-1,3-oxazolidin-2-one
CID 115064531
(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine;methane;(4S)-4-methyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 159220512
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-1,3-oxazolidin-2-one
CID 23651169
(3S,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 45086724
(3R,5R)-5-(hydroxymethyl)-3,5-dimethylmorpholin-2-one
CID 93234204
ethane;(4-methyl-2-methylimino-1,3-oxazolidin-4-yl)methanol
CID 143466094
4-ethyl-4-hydroxy-1,3-oxazolidin-2-one
CID 19933761
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;hydrate
CID 173189946
4-(2-hydroxybut-3-enylsulfanylmethyl)-4-methyl-1,3-oxazolidin-2-one
CID 67509414

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one (CID 160845972) is 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is CC(N)(CO)CO.CC1(CO)COC(=O)N1.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is SIQMWSHVMOESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C4H11NO2/c1-5(2-7)3-9-4(8)6-5;1-4(5,2-6)3-7/h7H,2-3H2,1H3,(H,6,8);6-7H,2-3,5H2,1H3.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one?
2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of -1.83, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 160845972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).