2-[(5S)-5-amino-6-oxohexyl]guanidine

C7H16N4O — CID 22853450

IUPAC2-[(5S)-5-amino-6-oxohexyl]guanidine
SMILESNC(N)=NCCCC[C@H](N)C=O
InChIInChI=1S/C7H16N4O/c8-6(5-12)3-1-2-4-11-7(9)10/h5-6H,1-4,8H2,(H4,9,10,11)/t6-/m0/s1
InChIKeySGPRTOLFSGXRPV-LURJTMIESA-N
MW172.23 g/mol
LogP-1.04
Rot. Bonds6

About 2-[(5S)-5-amino-6-oxohexyl]guanidine

2-[(5S)-5-amino-6-oxohexyl]guanidine (PubChem CID 22853450) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(5S)-5-amino-6-oxohexyl]guanidine.

Molecular Properties

Compound Name2-[(5S)-5-amino-6-oxohexyl]guanidine
PubChem CID22853450
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name2-[(5S)-5-amino-6-oxohexyl]guanidine
SMILESNC(N)=NCCCC[C@H](N)C=O
InChIInChI=1S/C7H16N4O/c8-6(5-12)3-1-2-4-11-7(9)10/h5-6H,1-4,8H2,(H4,9,10,11)/t6-/m0/s1
InChIKeySGPRTOLFSGXRPV-LURJTMIESA-N
XLogP-1.04
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.04
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

sodium;2-[(4S)-4-amino-5-oxopentyl]guanidine;hydride
CID 175474256
(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
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
2-[(3S)-3-hydroxy-4-oxobutyl]guanidine
CID 167028797
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
(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
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid;(2S)-2-aminopentanedioic acid
CID 157154468
(2S)-2-aminobutanedioic acid;(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
CID 158816513

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-amino-6-oxohexyl]guanidine?
The IUPAC name of 2-[(5S)-5-amino-6-oxohexyl]guanidine (CID 22853450) is 2-[(5S)-5-amino-6-oxohexyl]guanidine.
What is the SMILES notation for 2-[(5S)-5-amino-6-oxohexyl]guanidine?
The canonical SMILES for 2-[(5S)-5-amino-6-oxohexyl]guanidine is NC(N)=NCCCC[C@H](N)C=O.
What is the InChIKey of 2-[(5S)-5-amino-6-oxohexyl]guanidine?
The InChIKey is SGPRTOLFSGXRPV-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N4O/c8-6(5-12)3-1-2-4-11-7(9)10/h5-6H,1-4,8H2,(H4,9,10,11)/t6-/m0/s1.
What are the key properties of 2-[(5S)-5-amino-6-oxohexyl]guanidine?
2-[(5S)-5-amino-6-oxohexyl]guanidine has a molecular weight of 172.23 g/mol, XLogP of -1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-amino-6-oxohexyl]guanidine is sourced from PubChem (CID 22853450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).