sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride

C6H15N4NaO — CID 175474256

IUPACsodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
SMILESNC(N)=NCCC[C@H](N)C=O.[H-].[Na+]
InChIInChI=1S/C6H14N4O.Na.H/c7-5(4-11)2-1-3-10-6(8)9;;/h4-5H,1-3,7H2,(H4,8,9,10);;/q;+1;-1/t5-;;/m0../s1
InChIKeyVPZBQCWUCJJCMY-XRIGFGBMSA-N
MW182.20 g/mol
LogP-4.32
Rot. Bonds5

About sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride

sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride (PubChem CID 175474256) has the molecular formula C6H15N4NaO and a molecular weight of 182.20 g/mol. Its IUPAC name is sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride.

Molecular Properties

Compound Namesodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
PubChem CID175474256
Molecular FormulaC6H15N4NaO
Molecular Weight182.20 g/mol
Exact Mass182.11
IUPAC Namesodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
SMILESNC(N)=NCCC[C@H](N)C=O.[H-].[Na+]
InChIInChI=1S/C6H14N4O.Na.H/c7-5(4-11)2-1-3-10-6(8)9;;/h4-5H,1-3,7H2,(H4,8,9,10);;/q;+1;-1/t5-;;/m0../s1
InChIKeyVPZBQCWUCJJCMY-XRIGFGBMSA-N
XLogP-4.32
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-4.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-5-amino-6-oxohexyl]guanidine
CID 22853450
(2R)-2-amino-3-methylbutanal;2-[(4R)-4-amino-5-oxopentyl]guanidine;methane
CID 159342046
2-[(4S)-4-amino-5-deuterio-5-oxopentyl]guanidine
CID 141342026
2-[(4S)-4-amino-5-oxopentyl]guanidine;1-piperidin-1-ylpropan-2-one
CID 54479657
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 23693954
calcium;magnesium;sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;hydride;trihydrochloride
CID 175124660
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
2-(4-amino-4-phosphorosobutyl)guanidine
CID 89493357
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078

Frequently Asked Questions

What is the IUPAC name of sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride?
The IUPAC name of sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride (CID 175474256) is sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride.
What is the SMILES notation for sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride?
The canonical SMILES for sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride is NC(N)=NCCC[C@H](N)C=O.[H-].[Na+].
What is the InChIKey of sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride?
The InChIKey is VPZBQCWUCJJCMY-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H14N4O.Na.H/c7-5(4-11)2-1-3-10-6(8)9;;/h4-5H,1-3,7H2,(H4,8,9,10);;/q;+1;-1/t5-;;/m0../s1.
What are the key properties of sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride?
sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride has a molecular weight of 182.20 g/mol, XLogP of -4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride is sourced from PubChem (CID 175474256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).