[(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate

C10H17NO5 — CID 57149476

IUPAC[(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate
SMILESCC(=O)OC[C@@H](C)[C@@H](C)C(=O)NOC(C)=O
InChIInChI=1S/C10H17NO5/c1-6(5-15-8(3)12)7(2)10(14)11-16-9(4)13/h6-7H,5H2,1-4H3,(H,11,14)/t6-,7-/m1/s1
InChIKeyNAOUCZGVYGUXDI-RNFRBKRXSA-N
MW231.25 g/mol
LogP0.42
Rot. Bonds4

About [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate

[(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate (PubChem CID 57149476) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate.

Molecular Properties

Compound Name[(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate
PubChem CID57149476
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name[(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate
SMILESCC(=O)OC[C@@H](C)[C@@H](C)C(=O)NOC(C)=O
InChIInChI=1S/C10H17NO5/c1-6(5-15-8(3)12)7(2)10(14)11-16-9(4)13/h6-7H,5H2,1-4H3,(H,11,14)/t6-,7-/m1/s1
InChIKeyNAOUCZGVYGUXDI-RNFRBKRXSA-N
XLogP0.42
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
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 [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate?
The IUPAC name of [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate (CID 57149476) is [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate.
What is the SMILES notation for [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate?
The canonical SMILES for [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate is CC(=O)OC[C@@H](C)[C@@H](C)C(=O)NOC(C)=O.
What is the InChIKey of [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate?
The InChIKey is NAOUCZGVYGUXDI-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(5-15-8(3)12)7(2)10(14)11-16-9(4)13/h6-7H,5H2,1-4H3,(H,11,14)/t6-,7-/m1/s1.
What are the key properties of [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate?
[(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate has a molecular weight of 231.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-4-(acetyloxyamino)-2,3-dimethyl-4-oxobutyl] acetate is sourced from PubChem (CID 57149476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).