2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol

C9H21NO4 — CID 107850471

IUPAC2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
SMILESCOCCC(C)NC(CO)(CO)CO
InChIInChI=1S/C9H21NO4/c1-8(3-4-14-2)10-9(5-11,6-12)7-13/h8,10-13H,3-7H2,1-2H3
InChIKeyAUXQMHRFOQAARA-UHFFFAOYSA-N
MW207.27 g/mol
LogP-1.28
Rot. Bonds8

About 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol

2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol (PubChem CID 107850471) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
PubChem CID107850471
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
SMILESCOCCC(C)NC(CO)(CO)CO
InChIInChI=1S/C9H21NO4/c1-8(3-4-14-2)10-9(5-11,6-12)7-13/h8,10-13H,3-7H2,1-2H3
InChIKeyAUXQMHRFOQAARA-UHFFFAOYSA-N
XLogP-1.28
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106185432
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
N-(4-methoxybutan-2-yl)-2-methylpentan-2-amine
CID 115920019
N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
CID 63998115
N-(2-cyclopropylpropan-2-yl)-4-methoxybutan-2-amine
CID 103931910
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
2-(1-hydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 57265452
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol (CID 107850471) is 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol is COCCC(C)NC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol?
The InChIKey is AUXQMHRFOQAARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4/c1-8(3-4-14-2)10-9(5-11,6-12)7-13/h8,10-13H,3-7H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol?
2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol has a molecular weight of 207.27 g/mol, XLogP of -1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 107850471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).