sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

C10H15N4NaO7S — CID 173245868

IUPACsodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
SMILESO=C1NCCC1N(O)C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C10H14N4O7S.Na.H/c15-8-6(1-3-11-8)13(18)10(17)12-4-2-5-7(12)9(16)14(5)22(19,20)21;;/h5-7,18H,1-4H2,(H,11,15)(H,19,20,21);;/q;+1;-1/t5-,6?,7+;;/m1../s1
InChIKeyNLXNJDRUNAJACY-OVDYCMRWSA-N
MW358.31 g/mol
LogP-5.11
Rot. Bonds2

About sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid (PubChem CID 173245868) has the molecular formula C10H15N4NaO7S and a molecular weight of 358.31 g/mol. Its IUPAC name is sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
PubChem CID173245868
Molecular FormulaC10H15N4NaO7S
Molecular Weight358.31 g/mol
Exact Mass358.06
IUPAC Namesodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
SMILESO=C1NCCC1N(O)C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C10H14N4O7S.Na.H/c15-8-6(1-3-11-8)13(18)10(17)12-4-2-5-7(12)9(16)14(5)22(19,20)21;;/h5-7,18H,1-4H2,(H,11,15)(H,19,20,21);;/q;+1;-1/t5-,6?,7+;;/m1../s1
InChIKeyNLXNJDRUNAJACY-OVDYCMRWSA-N
XLogP-5.11
TPSA147.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 5-5.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-2-acetyl-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 70997719
(1S,5R)-7-oxo-2-(piperazine-1-carbonyl)-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 42633398
(1S,5R)-2-(2-methylsulfanylacetyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 71187665
sodium;(1S,5R)-2-[furan-2-yl(methyl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride
CID 173246091
sodium (4S)-4-[[(1S,5R)-7-oxo-6-sulfo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl]amino]-3,4-dihydro-2H-pyrrol-5-olate
CID 100925835
sodium;(1S,5R)-2-[(4-aminophenyl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride
CID 173071027
(1S)-2-[[(3S)-azepan-3-yl]carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 71102545
sodium;(1S,5R)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid;hydride
CID 173246282
(1S,5R)-2-(carboxyamino)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 22880225
sodium;hydride;(1S,5R)-2-[(1-methyltetrazol-5-yl)methylcarbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 173245783
(1S,5R)-7-oxo-2-[(2-piperidin-4-ylphenyl)carbamoyl]-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 67121301
(1S,5R)-2-[2-(3,4-dicarbamoylpyridin-1-ium-1-yl)acetyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 87277061

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The IUPAC name of sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid (CID 173245868) is sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid.
What is the SMILES notation for sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The canonical SMILES for sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid is O=C1NCCC1N(O)C(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
The InChIKey is NLXNJDRUNAJACY-OVDYCMRWSA-N. The full InChI is InChI=1S/C10H14N4O7S.Na.H/c15-8-6(1-3-11-8)13(18)10(17)12-4-2-5-7(12)9(16)14(5)22(19,20)21;;/h5-7,18H,1-4H2,(H,11,15)(H,19,20,21);;/q;+1;-1/t5-,6?,7+;;/m1../s1.
What are the key properties of sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid?
sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid has a molecular weight of 358.31 g/mol, XLogP of -5.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(1S,5R)-2-[hydroxy-(2-oxopyrrolidin-3-yl)carbamoyl]-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid is sourced from PubChem (CID 173245868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).