(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid

C6H14N4O2S — CID 138712746

IUPAC(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)NS
InChIInChI=1S/C6H14N4O2S/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKeyGVZMOPWOOCBXJC-BYPYZUCNSA-N
MW206.27 g/mol
LogP-1.07
Rot. Bonds5

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

(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid (PubChem CID 138712746) has the molecular formula C6H14N4O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid
PubChem CID138712746
Molecular FormulaC6H14N4O2S
Molecular Weight206.27 g/mol
Exact Mass206.08
IUPAC Name(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCC[C@H](N)C(=O)O)NS
InChIInChI=1S/C6H14N4O2S/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKeyGVZMOPWOOCBXJC-BYPYZUCNSA-N
XLogP-1.07
TPSA113.73 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid
CID 118548738
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid
CID 24801722
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
CID 141048538
CID 141048538
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid (CID 138712746) is (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid is N/C(=N\CCC[C@H](N)C(=O)O)NS.
What is the InChIKey of (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid?
The InChIKey is GVZMOPWOOCBXJC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N4O2S/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid?
(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid has a molecular weight of 206.27 g/mol, XLogP of -1.07, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid is sourced from PubChem (CID 138712746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).