(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one

C5H10N2O — CID 54597772

IUPAC(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one
SMILESC[C@H](N)[C@@H]1CNC1=O
InChIInChI=1S/C5H10N2O/c1-3(6)4-2-7-5(4)8/h3-4H,2,6H2,1H3,(H,7,8)/t3-,4-/m0/s1
InChIKeyHWCQWRRZOHZWPH-IMJSIDKUSA-N
MW114.15 g/mol
LogP-0.92
Rot. Bonds1

About (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one

(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one (PubChem CID 54597772) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one
PubChem CID54597772
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one
SMILESC[C@H](N)[C@@H]1CNC1=O
InChIInChI=1S/C5H10N2O/c1-3(6)4-2-7-5(4)8/h3-4H,2,6H2,1H3,(H,7,8)/t3-,4-/m0/s1
InChIKeyHWCQWRRZOHZWPH-IMJSIDKUSA-N
XLogP-0.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1-hydroxyethyl)azetidin-2-one
CID 68917580
3-(1-aminoethyl)azepan-2-one
CID 2837704
3-(1-aminoethyl)azocan-2-one
CID 23959350
2-(1-aminoethyl)-6-methyl-1,4-oxazepan-5-one
CID 163393877
3-propan-2-ylpyrrolidin-2-one;(3S)-3-propan-2-ylpyrrolidin-2-one;(3R)-3-propan-2-ylpyrrolidin-2-one
CID 158680886
3,6-bis(1-aminoethyl)piperazine-2,5-dione
CID 169008895
(3S)-3-[(1R)-1-triphenylsilyloxyethyl]azetidin-2-one
CID 57284837
(3S,4R)-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 59706724
6-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
CID 117275039
3-(1-hydroxyethyl)pyrrolidin-2-one
CID 559138
1-(2-aminopropyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196213
1-(4-bromo-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 117199956

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one?
The IUPAC name of (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one (CID 54597772) is (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one?
The canonical SMILES for (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one is C[C@H](N)[C@@H]1CNC1=O.
What is the InChIKey of (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one?
The InChIKey is HWCQWRRZOHZWPH-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3(6)4-2-7-5(4)8/h3-4H,2,6H2,1H3,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one?
(3S)-3-[(1S)-1-aminoethyl]azetidin-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-aminoethyl]azetidin-2-one is sourced from PubChem (CID 54597772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).