sodium;amino 2-benzamidoacetate;hydride

C9H11N2NaO3 — CID 175503094

IUPACsodium;amino 2-benzamidoacetate;hydride
SMILESNOC(=O)CNC(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H10N2O3.Na.H/c10-14-8(12)6-11-9(13)7-4-2-1-3-5-7;;/h1-5H,6,10H2,(H,11,13);;/q;+1;-1
InChIKeyWIQYKFGKEOXFFO-UHFFFAOYSA-N
MW218.19 g/mol
LogP-3.05
Rot. Bonds3

About sodium;amino 2-benzamidoacetate;hydride

sodium;amino 2-benzamidoacetate;hydride (PubChem CID 175503094) has the molecular formula C9H11N2NaO3 and a molecular weight of 218.19 g/mol. Its IUPAC name is sodium;amino 2-benzamidoacetate;hydride.

Molecular Properties

Compound Namesodium;amino 2-benzamidoacetate;hydride
PubChem CID175503094
Molecular FormulaC9H11N2NaO3
Molecular Weight218.19 g/mol
Exact Mass218.07
IUPAC Namesodium;amino 2-benzamidoacetate;hydride
SMILESNOC(=O)CNC(=O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C9H10N2O3.Na.H/c10-14-8(12)6-11-9(13)7-4-2-1-3-5-7;;/h1-5H,6,10H2,(H,11,13);;/q;+1;-1
InChIKeyWIQYKFGKEOXFFO-UHFFFAOYSA-N
XLogP-3.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 5-3.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
benzyl 2-benzamidoacetate;ethane
CID 142836612
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
(carbamothioylamino) 2-benzamidoacetate
CID 174948338
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
2-benzamidoacetic acid;hydrofluoride
CID 174760685
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
(2-benzamidoacetyl) 2-hydroxy-2-phenylethaneperoxoate
CID 141198806
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445

Frequently Asked Questions

What is the IUPAC name of sodium;amino 2-benzamidoacetate;hydride?
The IUPAC name of sodium;amino 2-benzamidoacetate;hydride (CID 175503094) is sodium;amino 2-benzamidoacetate;hydride.
What is the SMILES notation for sodium;amino 2-benzamidoacetate;hydride?
The canonical SMILES for sodium;amino 2-benzamidoacetate;hydride is NOC(=O)CNC(=O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;amino 2-benzamidoacetate;hydride?
The InChIKey is WIQYKFGKEOXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3.Na.H/c10-14-8(12)6-11-9(13)7-4-2-1-3-5-7;;/h1-5H,6,10H2,(H,11,13);;/q;+1;-1.
What are the key properties of sodium;amino 2-benzamidoacetate;hydride?
sodium;amino 2-benzamidoacetate;hydride has a molecular weight of 218.19 g/mol, XLogP of -3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino 2-benzamidoacetate;hydride is sourced from PubChem (CID 175503094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).