(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide

C7H13NO5 — CID 134856365

IUPAC(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
SMILESCON(C)C(=O)[C@H](O)[C@@H](O)C(C)=O
InChIInChI=1S/C7H13NO5/c1-4(9)5(10)6(11)7(12)8(2)13-3/h5-6,10-11H,1-3H3/t5-,6+/m0/s1
InChIKeyDTPWMCRXSUKNTN-NTSWFWBYSA-N
MW191.18 g/mol
LogP-1.68
Rot. Bonds4

About (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide

(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide (PubChem CID 134856365) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
PubChem CID134856365
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide
SMILESCON(C)C(=O)[C@H](O)[C@@H](O)C(C)=O
InChIInChI=1S/C7H13NO5/c1-4(9)5(10)6(11)7(12)8(2)13-3/h5-6,10-11H,1-3H3/t5-,6+/m0/s1
InChIKeyDTPWMCRXSUKNTN-NTSWFWBYSA-N
XLogP-1.68
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide (CID 134856365) is (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide is CON(C)C(=O)[C@H](O)[C@@H](O)C(C)=O.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide?
The InChIKey is DTPWMCRXSUKNTN-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-4(9)5(10)6(11)7(12)8(2)13-3/h5-6,10-11H,1-3H3/t5-,6+/m0/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide?
(2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide has a molecular weight of 191.18 g/mol, XLogP of -1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N-methoxy-N-methyl-4-oxopentanamide is sourced from PubChem (CID 134856365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).