(3S)-3-amino-1-methylazetidin-2-one;hydron

C4H9N2O+ — CID 131858386

IUPAC(3S)-3-amino-1-methylazetidin-2-one;hydron
SMILESCN1C[C@H](N)C1=O.[H+]
InChIInChI=1S/C4H8N2O/c1-6-2-3(5)4(6)7/h3H,2,5H2,1H3/p+1/t3-/m0/s1
InChIKeyXOBUVRCCYJYVJL-VKHMYHEASA-O
MW101.13 g/mol
LogP-1.10
Rot. Bonds

About (3S)-3-amino-1-methylazetidin-2-one;hydron

(3S)-3-amino-1-methylazetidin-2-one;hydron (PubChem CID 131858386) has the molecular formula C4H9N2O+ and a molecular weight of 101.13 g/mol. Its IUPAC name is (3S)-3-amino-1-methylazetidin-2-one;hydron.

Molecular Properties

Compound Name(3S)-3-amino-1-methylazetidin-2-one;hydron
PubChem CID131858386
Molecular FormulaC4H9N2O+
Molecular Weight101.13 g/mol
Exact Mass101.07
IUPAC Name(3S)-3-amino-1-methylazetidin-2-one;hydron
SMILESCN1C[C@H](N)C1=O.[H+]
InChIInChI=1S/C4H8N2O/c1-6-2-3(5)4(6)7/h3H,2,5H2,1H3/p+1/t3-/m0/s1
InChIKeyXOBUVRCCYJYVJL-VKHMYHEASA-O
XLogP-1.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-methylazetidin-2-one
CID 70338843
3-amino-1-methylpyrrolidin-2-one;hydrochloride
CID 67280315
(3S)-3-amino-1-methylpiperidin-2-one
CID 67416126
(3S)-3-amino-1-methylazepan-2-one
CID 14003483
3-amino-1-methylazepan-2-one;hydrochloride
CID 67416250
(3R)-3-amino-1-tert-butylazetidin-2-one
CID 175542547
3-amino-1-oxidoazetidin-2-one
CID 88622813
6-amino-4-methyl-1,4-oxazepan-5-one
CID 66654892
3-amino-1-prop-1-enylazetidin-2-one
CID 54336939
(5S)-5-amino-3-methyl-1,3-oxazolidin-2-one
CID 154029551
4-amino-1-methylpyrrolidin-2-one;ethane
CID 145355415
[(3S,6S)-6-amino-1-methyl-7-oxoazepan-3-yl] tetradecanoate
CID 10547024

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-methylazetidin-2-one;hydron?
The IUPAC name of (3S)-3-amino-1-methylazetidin-2-one;hydron (CID 131858386) is (3S)-3-amino-1-methylazetidin-2-one;hydron.
What is the SMILES notation for (3S)-3-amino-1-methylazetidin-2-one;hydron?
The canonical SMILES for (3S)-3-amino-1-methylazetidin-2-one;hydron is CN1C[C@H](N)C1=O.[H+].
What is the InChIKey of (3S)-3-amino-1-methylazetidin-2-one;hydron?
The InChIKey is XOBUVRCCYJYVJL-VKHMYHEASA-O. The full InChI is InChI=1S/C4H8N2O/c1-6-2-3(5)4(6)7/h3H,2,5H2,1H3/p+1/t3-/m0/s1.
What are the key properties of (3S)-3-amino-1-methylazetidin-2-one;hydron?
(3S)-3-amino-1-methylazetidin-2-one;hydron has a molecular weight of 101.13 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-methylazetidin-2-one;hydron is sourced from PubChem (CID 131858386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).