2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid

C8H17N3O2S — CID 22507208

IUPAC2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid
SMILESCCS/C(N)=N\CCCC(N)C(=O)O
InChIInChI=1S/C8H17N3O2S/c1-2-14-8(10)11-5-3-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyVVWWTGBEFOMQTM-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid

2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid (PubChem CID 22507208) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid
PubChem CID22507208
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid
SMILESCCS/C(N)=N\CCCC(N)C(=O)O
InChIInChI=1S/C8H17N3O2S/c1-2-14-8(10)11-5-3-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13)
InChIKeyVVWWTGBEFOMQTM-UHFFFAOYSA-N
XLogP0.25
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(2S)-2-amino-5-[[amino(prop-2-enylsulfanyl)methylidene]amino]pentanoic acid
CID 15480439
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid?
The IUPAC name of 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid (CID 22507208) is 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid is CCS/C(N)=N\CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid?
The InChIKey is VVWWTGBEFOMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-2-14-8(10)11-5-3-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid?
2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid has a molecular weight of 219.31 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid is sourced from PubChem (CID 22507208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).