(3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one

C5H10N2O2 — CID 71408229

IUPAC(3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one
SMILESCOC[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C5H10N2O2/c1-9-2-3-4(6)5(8)7-3/h3-4H,2,6H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChIKeyUBFOUUGDUATSTK-DMTCNVIQSA-N
MW130.15 g/mol
LogP-1.54
Rot. Bonds2

About (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one

(3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one (PubChem CID 71408229) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one
PubChem CID71408229
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one
SMILESCOC[C@H]1NC(=O)[C@H]1N
InChIInChI=1S/C5H10N2O2/c1-9-2-3-4(6)5(8)7-3/h3-4H,2,6H2,1H3,(H,7,8)/t3-,4+/m1/s1
InChIKeyUBFOUUGDUATSTK-DMTCNVIQSA-N
XLogP-1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one (CID 71408229) is (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one is COC[C@H]1NC(=O)[C@H]1N.
What is the InChIKey of (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one?
The InChIKey is UBFOUUGDUATSTK-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-9-2-3-4(6)5(8)7-3/h3-4H,2,6H2,1H3,(H,7,8)/t3-,4+/m1/s1.
What are the key properties of (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one?
(3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one has a molecular weight of 130.15 g/mol, XLogP of -1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-(methoxymethyl)azetidin-2-one is sourced from PubChem (CID 71408229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).