(3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium

C5H9N3NaO6S — CID 70373625

IUPAC—
SMILESNC(=O)OC[C@@H]1[C@H](N)C(=O)N1S(=O)(=O)O.[Na]
InChIInChI=1S/C5H9N3O6S.Na/c6-3-2(1-14-5(7)10)8(4(3)9)15(11,12)13;/h2-3H,1,6H2,(H2,7,10)(H,11,12,13);/t2-,3+;/m1./s1
InChIKeyWXBPHUYWRAHVHL-MUWMCQJSSA-N
MW262.20 g/mol
LogP-2.96
Rot. Bonds3

About (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium

(3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium (PubChem CID 70373625) has the molecular formula C5H9N3NaO6S and a molecular weight of 262.20 g/mol.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium
PubChem CID70373625
Molecular FormulaC5H9N3NaO6S
Molecular Weight262.20 g/mol
Exact Mass262.01
IUPAC Name—
SMILESNC(=O)OC[C@@H]1[C@H](N)C(=O)N1S(=O)(=O)O.[Na]
InChIInChI=1S/C5H9N3O6S.Na/c6-3-2(1-14-5(7)10)8(4(3)9)15(11,12)13;/h2-3H,1,6H2,(H2,7,10)(H,11,12,13);/t2-,3+;/m1./s1
InChIKeyWXBPHUYWRAHVHL-MUWMCQJSSA-N
XLogP-2.96
TPSA153.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 5-2.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(carbamoyloxymethyl)-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid
CID 13470792
acetic acid;(2S,3S)-2-acetyloxy-3-amino-4-oxoazetidine-1-sulfonic acid
CID 70390525
3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 4133026
(2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
CID 159927921
CID 173392088
CID 173392088
(2R,3S)-3-amino-2-[(Z)-4-ethoxy-4-oxobut-2-en-2-yl]-4-oxoazetidine-1-sulfonic acid
CID 131715083
2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
CID 13470809
(3-amino-4-oxoazetidin-2-yl)methyl carbamate
CID 14095503
2-(carbamoyloxymethyl)-3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-4-oxoazetidine-1-sulfonic acid
CID 21244766
sodium;(2S,3S)-3-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-oxo-2-piperidin-1-ylethoxy)iminoacetyl]amino]-2-(carbamoyloxymethyl)-4-oxoazetidine-1-sulfonic acid;hydride
CID 173396990
(3S)-3-amino-2-(1,3-dioxoisoindol-2-yl)-4-oxoazetidine-1-sulfonic acid
CID 70416362
3-ethenyl-2-ethoxycarbonyl-4-oxoazetidine-1-sulfonic acid
CID 19748795

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium?
The IUPAC name of (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium (CID 70373625) is not available.
What is the SMILES notation for (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium?
The canonical SMILES for (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium is NC(=O)OC[C@@H]1[C@H](N)C(=O)N1S(=O)(=O)O.[Na].
What is the InChIKey of (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium?
The InChIKey is WXBPHUYWRAHVHL-MUWMCQJSSA-N. The full InChI is InChI=1S/C5H9N3O6S.Na/c6-3-2(1-14-5(7)10)8(4(3)9)15(11,12)13;/h2-3H,1,6H2,(H2,7,10)(H,11,12,13);/t2-,3+;/m1./s1.
What are the key properties of (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium?
(3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium has a molecular weight of 262.20 g/mol, XLogP of -2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-carbamoyloxymethyl-2-oxo-1-azetidine-sulfonic acid sodium is sourced from PubChem (CID 70373625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).