2-amino-2-(phenylmethoxymethyl)propane-1,3-diol

C11H17NO3 — CID 720755

IUPAC2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)COCc1ccccc1
InChIInChI=1S/C11H17NO3/c12-11(7-13,8-14)9-15-6-10-4-2-1-3-5-10/h1-5,13-14H,6-9,12H2
InChIKeyDTNHKTAMUGDRNG-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.11
Rot. Bonds6

About 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol

2-amino-2-(phenylmethoxymethyl)propane-1,3-diol (PubChem CID 720755) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
PubChem CID720755
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
SMILESNC(CO)(CO)COCc1ccccc1
InChIInChI=1S/C11H17NO3/c12-11(7-13,8-14)9-15-6-10-4-2-1-3-5-10/h1-5,13-14H,6-9,12H2
InChIKeyDTNHKTAMUGDRNG-UHFFFAOYSA-N
XLogP-0.11
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 102246332
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
CID 102391080
2-amino-2-(phenylmethoxymethyl)butanediamide
CID 69284730
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol (CID 720755) is 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol is NC(CO)(CO)COCc1ccccc1.
What is the InChIKey of 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol?
The InChIKey is DTNHKTAMUGDRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c12-11(7-13,8-14)9-15-6-10-4-2-1-3-5-10/h1-5,13-14H,6-9,12H2.
What are the key properties of 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol?
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol has a molecular weight of 211.26 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(phenylmethoxymethyl)propane-1,3-diol is sourced from PubChem (CID 720755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).