(3-amino-4-oxoazetidin-2-yl)methyl carbamate

C5H9N3O3 — CID 14095503

IUPAC(3-amino-4-oxoazetidin-2-yl)methyl carbamate
SMILESNC(=O)OCC1NC(=O)C1N
InChIInChI=1S/C5H9N3O3/c6-3-2(8-4(3)9)1-11-5(7)10/h2-3H,1,6H2,(H2,7,10)(H,8,9)
InChIKeyDHXYGTAPMNUQON-UHFFFAOYSA-N
MW159.14 g/mol
LogP-2.09
Rot. Bonds2

About (3-amino-4-oxoazetidin-2-yl)methyl carbamate

(3-amino-4-oxoazetidin-2-yl)methyl carbamate (PubChem CID 14095503) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is (3-amino-4-oxoazetidin-2-yl)methyl carbamate.

Molecular Properties

Compound Name(3-amino-4-oxoazetidin-2-yl)methyl carbamate
PubChem CID14095503
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(3-amino-4-oxoazetidin-2-yl)methyl carbamate
SMILESNC(=O)OCC1NC(=O)C1N
InChIInChI=1S/C5H9N3O3/c6-3-2(8-4(3)9)1-11-5(7)10/h2-3H,1,6H2,(H2,7,10)(H,8,9)
InChIKeyDHXYGTAPMNUQON-UHFFFAOYSA-N
XLogP-2.09
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-4-oxoazetidin-2-yl)acetamide
CID 67366514
[(2S,3S)-3-amino-4-oxoazetidin-2-yl]methyl thiocyanate
CID 86743761
(3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium
CID 70373625
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[2-(carbamoyloxymethyl)-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid
CID 172986905
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
3-(3-oxoaziridin-2-yl)propanamide
CID 129164942
(4-methylidenecyclohexyl)methyl carbamate
CID 90983619
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
[2-[[(2R,3S)-3-amino-4-oxoazetidin-2-yl]methyl]tetrazol-5-yl]methyl-tert-butylcarbamic acid
CID 118380241
[(3aS,4R,8S,9S,10aS)-2,6-diamino-9,10,10-trihydroxy-8-propyl-1,3a,4,5,8,9-hexahydropyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
CID 140712549
(3S,4S)-3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 57319641

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-oxoazetidin-2-yl)methyl carbamate?
The IUPAC name of (3-amino-4-oxoazetidin-2-yl)methyl carbamate (CID 14095503) is (3-amino-4-oxoazetidin-2-yl)methyl carbamate.
What is the SMILES notation for (3-amino-4-oxoazetidin-2-yl)methyl carbamate?
The canonical SMILES for (3-amino-4-oxoazetidin-2-yl)methyl carbamate is NC(=O)OCC1NC(=O)C1N.
What is the InChIKey of (3-amino-4-oxoazetidin-2-yl)methyl carbamate?
The InChIKey is DHXYGTAPMNUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c6-3-2(8-4(3)9)1-11-5(7)10/h2-3H,1,6H2,(H2,7,10)(H,8,9).
What are the key properties of (3-amino-4-oxoazetidin-2-yl)methyl carbamate?
(3-amino-4-oxoazetidin-2-yl)methyl carbamate has a molecular weight of 159.14 g/mol, XLogP of -2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-oxoazetidin-2-yl)methyl carbamate is sourced from PubChem (CID 14095503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).