N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide

C12H24N2O3 — CID 75367058

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCC(C)(C)C)[C@@H]1O
InChIInChI=1S/C12H24N2O3/c1-8(15)13-5-10-11(16)9(6-17-10)14-7-12(2,3)4/h9-11,14,16H,5-7H2,1-4H3,(H,13,15)/t9-,10-,11+/m1/s1
InChIKeyZMWNNAZKEXOETB-MXWKQRLJSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds4

About N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide (PubChem CID 75367058) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
PubChem CID75367058
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCC(C)(C)C)[C@@H]1O
InChIInChI=1S/C12H24N2O3/c1-8(15)13-5-10-11(16)9(6-17-10)14-7-12(2,3)4/h9-11,14,16H,5-7H2,1-4H3,(H,13,15)/t9-,10-,11+/m1/s1
InChIKeyZMWNNAZKEXOETB-MXWKQRLJSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide (CID 75367058) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1OC[C@@H](NCC(C)(C)C)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The InChIKey is ZMWNNAZKEXOETB-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(15)13-5-10-11(16)9(6-17-10)14-7-12(2,3)4/h9-11,14,16H,5-7H2,1-4H3,(H,13,15)/t9-,10-,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 75367058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).