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

C4H8N2O2 — CID 20632011

IUPAC(3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one
SMILESN[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C4H8N2O2/c5-3-2(1-7)6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1
InChIKeyWVDHXMSAEWBYSV-GBXIJSLDSA-N
MW116.12 g/mol
LogP-2.20
Rot. Bonds1

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

(3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one (PubChem CID 20632011) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one
PubChem CID20632011
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one
SMILESN[C@@H]1C(=O)N[C@@H]1CO
InChIInChI=1S/C4H8N2O2/c5-3-2(1-7)6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1
InChIKeyWVDHXMSAEWBYSV-GBXIJSLDSA-N
XLogP-2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)azetidin-2-one
CID 12560725
(4S)-4-(hydroxymethyl)azetidin-2-one
CID 10964424
(2R)-2-amino-4-hydroxy-N-(2-hydroxyethyl)butanamide
CID 45122469
(R)-4-(Hydroxymethyl)azetidin-2-one
CID 11962861
3-Amino-4-(hydroxymethyl)azetidin-2-one
CID 14230591
(3R,4R)-3-amino-4-(hydroxymethyl)azetidin-2-one
CID 14230592
3-Azido-4-(hydroxymethyl)azetidin-2-one
CID 23470091
[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamic acid
CID 45083313
(3S,4S)-3-Azido-4-(hydroxymethyl)azetidin-2-one
CID 54361505
4-(Methoxymethyl)-3-(methylamino)azetidin-2-one
CID 54384448
3-Hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 54491574
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 57319641

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one (CID 20632011) is (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one is N[C@@H]1C(=O)N[C@@H]1CO.
What is the InChIKey of (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one?
The InChIKey is WVDHXMSAEWBYSV-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3-2(1-7)6-4(3)8/h2-3,7H,1,5H2,(H,6,8)/t2-,3+/m1/s1.
What are the key properties of (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one?
(3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-(hydroxymethyl)azetidin-2-one is sourced from PubChem (CID 20632011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).