2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine

C48H108N24O6 — CID 160566673

IUPAC2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
SMILESCC(C)C(=O)[C@@H](N)CCCN=C(N)N.CC(C)C(=O)[C@@H](N)CCN=C(N)N.CC(C)C(=O)[C@@H](N)CN=C(N)N.CC(C)C(=O)[C@H](N)CCCN=C(N)N.CC(C)C(=O)[C@H](N)CCN=C(N)N.CC(C)C(=O)[C@H](N)CN=C(N)N
InChIInChI=1S/2C9H20N4O.2C8H18N4O.2C7H16N4O/c2*1-6(2)8(14)7(10)4-3-5-13-9(11)12;2*1-5(2)7(13)6(9)3-4-12-8(10)11;2*1-4(2)6(12)5(8)3-11-7(9)10/h2*6-7H,3-5,10H2,1-2H3,(H4,11,12,13);2*5-6H,3-4,9H2,1-2H3,(H4,10,11,12);2*4-5H,3,8H2,1-2H3,(H4,9,10,11)/t2*7-;2*6-;2*5-/m101010/s1
InChIKeyQZZWYHKQOLBOCQ-DUIFOFMVSA-N
MW1117.55 g/mol
LogP-4.79
Rot. Bonds30

About 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine

2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine (PubChem CID 160566673) has the molecular formula C48H108N24O6 and a molecular weight of 1117.55 g/mol. Its IUPAC name is 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine.

Molecular Properties

Compound Name2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
PubChem CID160566673
Molecular FormulaC48H108N24O6
Molecular Weight1117.55 g/mol
Exact Mass1116.89
IUPAC Name2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine
SMILESCC(C)C(=O)[C@@H](N)CCCN=C(N)N.CC(C)C(=O)[C@@H](N)CCN=C(N)N.CC(C)C(=O)[C@@H](N)CN=C(N)N.CC(C)C(=O)[C@H](N)CCCN=C(N)N.CC(C)C(=O)[C@H](N)CCN=C(N)N.CC(C)C(=O)[C@H](N)CN=C(N)N
InChIInChI=1S/2C9H20N4O.2C8H18N4O.2C7H16N4O/c2*1-6(2)8(14)7(10)4-3-5-13-9(11)12;2*1-5(2)7(13)6(9)3-4-12-8(10)11;2*1-4(2)6(12)5(8)3-11-7(9)10/h2*6-7H,3-5,10H2,1-2H3,(H4,11,12,13);2*5-6H,3-4,9H2,1-2H3,(H4,10,11,12);2*4-5H,3,8H2,1-2H3,(H4,9,10,11)/t2*7-;2*6-;2*5-/m101010/s1
InChIKeyQZZWYHKQOLBOCQ-DUIFOFMVSA-N
XLogP-4.79
TPSA644.94 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.55
LogP ≤ 5-4.79
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine;2-(2-amino-4-methyl-3-oxopentyl)guanidine;1,2-diamino-4-methylpentan-3-one;(2R)-1,2-diamino-4-methylpentan-3-one;(2S)-1,2-diamino-4-methylpentan-3-one
CID 161412599
2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
CID 129141783
2-(3,5-diamino-4-oxohexyl)guanidine
CID 91251591
2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine
CID 146421997
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
2-[(4S)-1-(diaminomethylideneamino)-6-methyl-5-oxoheptan-4-yl]guanidine
CID 153423260
2-[(4S,10S)-4,10-diamino-6,8-dichloro-13-(diaminomethylideneamino)-5,7,9-trioxotridecyl]guanidine
CID 54217718
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine?
The IUPAC name of 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine (CID 160566673) is 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine.
What is the SMILES notation for 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine?
The canonical SMILES for 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine is CC(C)C(=O)[C@@H](N)CCCN=C(N)N.CC(C)C(=O)[C@@H](N)CCN=C(N)N.CC(C)C(=O)[C@@H](N)CN=C(N)N.CC(C)C(=O)[C@H](N)CCCN=C(N)N.CC(C)C(=O)[C@H](N)CCN=C(N)N.CC(C)C(=O)[C@H](N)CN=C(N)N.
What is the InChIKey of 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine?
The InChIKey is QZZWYHKQOLBOCQ-DUIFOFMVSA-N. The full InChI is InChI=1S/2C9H20N4O.2C8H18N4O.2C7H16N4O/c2*1-6(2)8(14)7(10)4-3-5-13-9(11)12;2*1-5(2)7(13)6(9)3-4-12-8(10)11;2*1-4(2)6(12)5(8)3-11-7(9)10/h2*6-7H,3-5,10H2,1-2H3,(H4,11,12,13);2*5-6H,3-4,9H2,1-2H3,(H4,10,11,12);2*4-5H,3,8H2,1-2H3,(H4,9,10,11)/t2*7-;2*6-;2*5-/m101010/s1.
What are the key properties of 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine?
2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine has a molecular weight of 1117.55 g/mol, XLogP of -4.79, 30 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(4S)-4-amino-6-methyl-5-oxoheptyl]guanidine;2-[(3R)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(3S)-3-amino-5-methyl-4-oxohexyl]guanidine;2-[(2S)-2-amino-4-methyl-3-oxopentyl]guanidine;2-[(2R)-2-amino-4-methyl-3-oxopentyl]guanidine is sourced from PubChem (CID 160566673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).