propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate

C7H15NO5 — CID 89005667

IUPACpropan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate
SMILESCC(C)OC(=O)C[C@@H](C)ON(O)O
InChIInChI=1S/C7H15NO5/c1-5(2)12-7(9)4-6(3)13-8(10)11/h5-6,10-11H,4H2,1-3H3/t6-/m1/s1
InChIKeyZFKIYLIEBOKWPA-ZCFIWIBFSA-N
MW193.20 g/mol
LogP0.73
Rot. Bonds5

About propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate

propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate (PubChem CID 89005667) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate
PubChem CID89005667
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Namepropan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate
SMILESCC(C)OC(=O)C[C@@H](C)ON(O)O
InChIInChI=1S/C7H15NO5/c1-5(2)12-7(9)4-6(3)13-8(10)11/h5-6,10-11H,4H2,1-3H3/t6-/m1/s1
InChIKeyZFKIYLIEBOKWPA-ZCFIWIBFSA-N
XLogP0.73
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[(2R)-2-(dihydroxyamino)oxypropoxy]acetate
CID 89005640
propan-2-yl 2-[2-(dihydroxyamino)oxypropoxy]acetate
CID 89005644
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
(Z)-but-2-enedioic acid;propan-2-yl 3-methylbutanoate
CID 175001165
5-(dihydroxyamino)oxyhexyl propan-2-yl carbonate
CID 89005665
propan-2-yl 4,4,4-trichloro-3-methylbutanoate
CID 134975622
2-methylpropyl 2-methylpropanoate;propan-2-yl 3-methylbutanoate
CID 167651922
dipropan-2-yl 2-(trifluoromethyl)butanedioate
CID 23241115
propan-2-yl 3-hydroxy-4-iodobutanoate
CID 54548727
propan-2-yl (3S)-4-bromo-3-hydroxybutanoate
CID 141383142
bis(3-methylbutanoyloxy)methyl 3-methylbutanoate
CID 167684168

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate?
The IUPAC name of propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate (CID 89005667) is propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate.
What is the SMILES notation for propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate?
The canonical SMILES for propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate is CC(C)OC(=O)C[C@@H](C)ON(O)O.
What is the InChIKey of propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate?
The InChIKey is ZFKIYLIEBOKWPA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO5/c1-5(2)12-7(9)4-6(3)13-8(10)11/h5-6,10-11H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate?
propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate has a molecular weight of 193.20 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-(dihydroxyamino)oxybutanoate is sourced from PubChem (CID 89005667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).