2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide

C11H22N2O5 — CID 114009193

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNC(CO)(CO)CO)NC1CCOCC1
InChIInChI=1S/C11H22N2O5/c14-6-11(7-15,8-16)12-5-10(17)13-9-1-3-18-4-2-9/h9,12,14-16H,1-8H2,(H,13,17)
InChIKeyZVVXFVBXBNYWMD-UHFFFAOYSA-N
MW262.31 g/mol
LogP-2.41
Rot. Bonds7

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide (PubChem CID 114009193) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
PubChem CID114009193
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide
SMILESO=C(CNC(CO)(CO)CO)NC1CCOCC1
InChIInChI=1S/C11H22N2O5/c14-6-11(7-15,8-16)12-5-10(17)13-9-1-3-18-4-2-9/h9,12,14-16H,1-8H2,(H,13,17)
InChIKeyZVVXFVBXBNYWMD-UHFFFAOYSA-N
XLogP-2.41
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-3-(hydroxymethyl)morpholin-3-yl]methyl]-2-pentoxyacetamide
CID 164631083
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113231950
N-butyl-N'-(4-hydroxyoxan-3-yl)oxamide
CID 137481780
N-(cyclopropylmethyl)-N'-(4-hydroxyoxan-3-yl)oxamide
CID 137496859
[(2R)-2-amino-3-hydroxypropanoyl]-(oxan-4-yl)azanium
CID 143644854
N-(2-hydroxyethyl)-2-[methyl(oxan-4-yl)amino]acetamide
CID 43611548
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(oxan-4-yl)acetamide
CID 55179955
2-[butyl(2-hydroxyethyl)amino]-N-(oxan-4-yl)acetamide
CID 55180730
2-(tert-butylamino)-N-(oxan-4-yl)acetamide
CID 62196007
2-[2-hydroxyethyl(propan-2-yl)amino]-N-(oxan-4-yl)acetamide
CID 63097683
2-[[2-(Oxan-4-ylamino)-2-oxoethyl]amino]acetic acid
CID 63098016
2-[[2-(Oxan-4-ylamino)-2-oxoethyl]amino]propanoic acid
CID 63098018

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide (CID 114009193) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide is O=C(CNC(CO)(CO)CO)NC1CCOCC1.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide?
The InChIKey is ZVVXFVBXBNYWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c14-6-11(7-15,8-16)12-5-10(17)13-9-1-3-18-4-2-9/h9,12,14-16H,1-8H2,(H,13,17).
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of -2.41, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 114009193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).