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

C7H17N5O2 — CID 24801722

IUPAC(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid
SMILESCNN/C(N)=N/CCC[C@H](N)C(=O)O
InChIInChI=1S/C7H17N5O2/c1-10-12-7(9)11-4-2-3-5(8)6(13)14/h5,10H,2-4,8H2,1H3,(H,13,14)(H3,9,11,12)/t5-/m0/s1
InChIKeyXJIPEUFVJWGARG-YFKPBYRVSA-N
MW203.25 g/mol
LogP-1.78
Rot. Bonds6

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

(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid (PubChem CID 24801722) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid
PubChem CID24801722
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Name(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid
SMILESCNN/C(N)=N/CCC[C@H](N)C(=O)O
InChIInChI=1S/C7H17N5O2/c1-10-12-7(9)11-4-2-3-5(8)6(13)14/h5,10H,2-4,8H2,1H3,(H,13,14)(H3,9,11,12)/t5-/m0/s1
InChIKeyXJIPEUFVJWGARG-YFKPBYRVSA-N
XLogP-1.78
TPSA125.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-1.78
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid
CID 138712746
2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid
CID 118548738
(2S)-2-amino-5-[[amino-(prop-2-ynylamino)methylidene]amino]pentanoic acid
CID 135512453
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
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(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
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid (CID 24801722) is (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid is CNN/C(N)=N/CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid?
The InChIKey is XJIPEUFVJWGARG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H17N5O2/c1-10-12-7(9)11-4-2-3-5(8)6(13)14/h5,10H,2-4,8H2,1H3,(H,13,14)(H3,9,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid?
(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid has a molecular weight of 203.25 g/mol, XLogP of -1.78, 6 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-(2-methylhydrazinyl)methylidene]amino]pentanoic acid is sourced from PubChem (CID 24801722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).