(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane

C7H18N4O2 — CID 146220305

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
SMILESC.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.CH4/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H4/t4-;/m0./s1
InChIKeyGJICHEAUDFHEIZ-WCCKRBBISA-N
MW190.25 g/mol
LogP-0.91
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane (PubChem CID 146220305) has the molecular formula C7H18N4O2 and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
PubChem CID146220305
Molecular FormulaC7H18N4O2
Molecular Weight190.25 g/mol
Exact Mass190.14
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
SMILESC.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.CH4/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H4/t4-;/m0./s1
InChIKeyGJICHEAUDFHEIZ-WCCKRBBISA-N
XLogP-0.91
TPSA127.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(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
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337
calcium;2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid;hydride
CID 174862078
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
(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-(diaminomethylideneamino)pentanoic acid;methane?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane (CID 146220305) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane is C.NC(N)=NCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane?
The InChIKey is GJICHEAUDFHEIZ-WCCKRBBISA-N. The full InChI is InChI=1S/C6H14N4O2.CH4/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H4/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane has a molecular weight of 190.25 g/mol, XLogP of -0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane is sourced from PubChem (CID 146220305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).