[2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate

C10H22N2O3 — CID 20768422

IUPAC[2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate
SMILESCNCC(O)COC(=O)C(C)(C)CNC
InChIInChI=1S/C10H22N2O3/c1-10(2,7-12-4)9(14)15-6-8(13)5-11-3/h8,11-13H,5-7H2,1-4H3
InChIKeyDUUCRSVIZAXTBY-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.64
Rot. Bonds7

About [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate

[2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate (PubChem CID 20768422) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate.

Molecular Properties

Compound Name[2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate
PubChem CID20768422
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name[2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate
SMILESCNCC(O)COC(=O)C(C)(C)CNC
InChIInChI=1S/C10H22N2O3/c1-10(2,7-12-4)9(14)15-6-8(13)5-11-3/h8,11-13H,5-7H2,1-4H3
InChIKeyDUUCRSVIZAXTBY-UHFFFAOYSA-N
XLogP-0.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate?
The IUPAC name of [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate (CID 20768422) is [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate.
What is the SMILES notation for [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate?
The canonical SMILES for [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate is CNCC(O)COC(=O)C(C)(C)CNC.
What is the InChIKey of [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate?
The InChIKey is DUUCRSVIZAXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,7-12-4)9(14)15-6-8(13)5-11-3/h8,11-13H,5-7H2,1-4H3.
What are the key properties of [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate?
[2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate has a molecular weight of 218.30 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(methylamino)propyl] 2,2-dimethyl-3-(methylamino)propanoate is sourced from PubChem (CID 20768422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).