sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate

C5H7N2NaO5 — CID 155673077

IUPACsodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate
SMILESNC(=O)NC(CC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C5H8N2O5.Na/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+1/p-1
InChIKeyBNEVBZISHOAJNQ-UHFFFAOYSA-M
MW198.11 g/mol
LogP-5.75
Rot. Bonds4

About sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate

sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate (PubChem CID 155673077) has the molecular formula C5H7N2NaO5 and a molecular weight of 198.11 g/mol. Its IUPAC name is sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate.

Molecular Properties

Compound Namesodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate
PubChem CID155673077
Molecular FormulaC5H7N2NaO5
Molecular Weight198.11 g/mol
Exact Mass198.03
IUPAC Namesodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate
SMILESNC(=O)NC(CC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C5H8N2O5.Na/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+1/p-1
InChIKeyBNEVBZISHOAJNQ-UHFFFAOYSA-M
XLogP-5.75
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 5-5.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(carbamoylamino)butanedioate
CID 5460257
(2S)-4-amino-2-(carbamoylamino)-4-oxobutanoate
CID 7319306
calcium 2-(carbamoylamino)butanedioate
CID 156759447
calcium;sodium;2-[(2-carboxy-1-carboxylatoethyl)amino]butanedioate
CID 175697415
zinc (2S)-2-(carbamoylamino)pentanedioate
CID 175394718
tetrasodium bis((2S)-2-(1,2-dicarboxyethylamino)butanedioate)
CID 173150410
tetrasodium bis(2-(1,2-dicarboxyethylamino)butanedioate)
CID 141058065
potassium (2S)-4-hydroxy-2-(2-methylprop-2-enoylamino)-4-oxobutanoate
CID 122612104
(2S)-2,6-bis(carbamoylamino)hexanoate
CID 2512810
disodium;(2S)-2-[(2-carboxy-1-carboxylatoethyl)amino]-5-(diaminomethylideneamino)pentanoate;hydrate
CID 170987998
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695

Frequently Asked Questions

What is the IUPAC name of sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate?
The IUPAC name of sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate (CID 155673077) is sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate.
What is the SMILES notation for sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate?
The canonical SMILES for sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate is NC(=O)NC(CC(=O)O)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate?
The InChIKey is BNEVBZISHOAJNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N2O5.Na/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+1/p-1.
What are the key properties of sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate?
sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate has a molecular weight of 198.11 g/mol, XLogP of -5.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate is sourced from PubChem (CID 155673077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).