N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide

C11H22N2O4 — CID 75536573

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC(C)C)[C@@H]1O
InChIInChI=1S/C11H22N2O4/c1-7(2)13-8-5-17-9(11(8)15)4-12-10(14)6-16-3/h7-9,11,13,15H,4-6H2,1-3H3,(H,12,14)/t8-,9-,11+/m1/s1
InChIKeyPKZISZBTDCDQRN-KKZNHRDASA-N
MW246.31 g/mol
LogP-1.12
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536573) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536573
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](NC(C)C)[C@@H]1O
InChIInChI=1S/C11H22N2O4/c1-7(2)13-8-5-17-9(11(8)15)4-12-10(14)6-16-3/h7-9,11,13,15H,4-6H2,1-3H3,(H,12,14)/t8-,9-,11+/m1/s1
InChIKeyPKZISZBTDCDQRN-KKZNHRDASA-N
XLogP-1.12
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide (CID 75536573) is N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](NC(C)C)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is PKZISZBTDCDQRN-KKZNHRDASA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(2)13-8-5-17-9(11(8)15)4-12-10(14)6-16-3/h7-9,11,13,15H,4-6H2,1-3H3,(H,12,14)/t8-,9-,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 246.31 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).