potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide

C12H24KN2O8- — CID 172602423

IUPACpotassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide
SMILES[CH3-].[K+].[NH-]C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)O
InChIInChI=1S/C11H21N2O8.CH3.K/c12-5(11(20)21)1-2-8(17)13-3-6(15)9(18)10(19)7(16)4-14;;/h5-7,9-10,12,14-16,18-19H,1-4H2,(H,13,17)(H,20,21);1H3;/q2*-1;+1
InChIKeyFWWONUZUKDEZOA-UHFFFAOYSA-N
MW363.43 g/mol
LogP-5.72
Rot. Bonds10

About potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide

potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide (PubChem CID 172602423) has the molecular formula C12H24KN2O8- and a molecular weight of 363.43 g/mol. Its IUPAC name is potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide.

Molecular Properties

Compound Namepotassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide
PubChem CID172602423
Molecular FormulaC12H24KN2O8-
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC Namepotassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide
SMILES[CH3-].[K+].[NH-]C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)O
InChIInChI=1S/C11H21N2O8.CH3.K/c12-5(11(20)21)1-2-8(17)13-3-6(15)9(18)10(19)7(16)4-14;;/h5-7,9-10,12,14-16,18-19H,1-4H2,(H,13,17)(H,20,21);1H3;/q2*-1;+1
InChIKeyFWWONUZUKDEZOA-UHFFFAOYSA-N
XLogP-5.72
TPSA191.35 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 5-5.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[(1R,2S)-1-hydroxy-2-methyl-5-oxo-5-[[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]amino]pentyl]amino]-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanoic acid
CID 91597502
(2S)-2-methyl-N-[(2R)-5-oxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]-N'-[(2R,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 91616464
4,4-dimethyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide
CID 155358754
5-oxo-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexanamide
CID 155426705
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
ethane;5-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)hexanamide
CID 171849271
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-5-oxo-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanoic acid
CID 166731705
2-[[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentanedioic acid
CID 21120733
(2S)-2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]-N,N'-bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide
CID 177094516
3-hydroxy-2-(2,3,4,5,6-pentahydroxyhexylamino)propanoic acid
CID 21427717

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide?
The IUPAC name of potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide (CID 172602423) is potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide.
What is the SMILES notation for potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide?
The canonical SMILES for potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide is [CH3-].[K+].[NH-]C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)O.
What is the InChIKey of potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide?
The InChIKey is FWWONUZUKDEZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O8.CH3.K/c12-5(11(20)21)1-2-8(17)13-3-6(15)9(18)10(19)7(16)4-14;;/h5-7,9-10,12,14-16,18-19H,1-4H2,(H,13,17)(H,20,21);1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide?
potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide has a molecular weight of 363.43 g/mol, XLogP of -5.72, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;[1-carboxy-4-oxo-4-(2,3,4,5,6-pentahydroxyhexylamino)butyl]azanide is sourced from PubChem (CID 172602423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).