(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid

C4H9N5O2 — CID 87704037

IUPAC(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid
SMILESNC(N)=N/N=C\C(N)C(=O)O
InChIInChI=1S/C4H9N5O2/c5-2(3(10)11)1-8-9-4(6)7/h1-2H,5H2,(H,10,11)(H4,6,7,9)/b8-1-
InChIKeyQWBNBCJNELEVSW-QPIMQUGISA-N
MW159.15 g/mol
LogP-2.34
Rot. Bonds3

About (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid

(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid (PubChem CID 87704037) has the molecular formula C4H9N5O2 and a molecular weight of 159.15 g/mol. Its IUPAC name is (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid.

Molecular Properties

Compound Name(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid
PubChem CID87704037
Molecular FormulaC4H9N5O2
Molecular Weight159.15 g/mol
Exact Mass159.08
IUPAC Name(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid
SMILESNC(N)=N/N=C\C(N)C(=O)O
InChIInChI=1S/C4H9N5O2/c5-2(3(10)11)1-8-9-4(6)7/h1-2H,5H2,(H,10,11)(H4,6,7,9)/b8-1-
InChIKeyQWBNBCJNELEVSW-QPIMQUGISA-N
XLogP-2.34
TPSA140.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

acetic acid;2-[(E)-[(2E)-2-(diaminomethylidenehydrazinylidene)ethylidene]amino]guanidine
CID 54603546
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]propanoic acid
CID 168591032
2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine
CID 129434404
(2R)-2-amino-3-sulfinylpropanoic acid
CID 162721161
(E)-2-amino-4-chlorobut-3-enoic acid
CID 130003035
2-amino-3-sulfonylpropanoic acid
CID 22381085
(E,2R)-2-amino-4-fluoro-5-phosphonopent-3-enoic acid
CID 18647022
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
(2S,3Z)-2-aminohexa-3,5-dienoic acid
CID 11018881
2-[(2-cyclopropyl-3,3,3-trifluoropropylidene)amino]guanidine;hydrochloride
CID 67747686
(2S,3R)-2-amino-3-(diaminomethylideneamino)-4,4,4-trifluorobutanoic acid
CID 118493031
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid?
The IUPAC name of (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid (CID 87704037) is (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid.
What is the SMILES notation for (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid?
The canonical SMILES for (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid is NC(N)=N/N=C\C(N)C(=O)O.
What is the InChIKey of (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid?
The InChIKey is QWBNBCJNELEVSW-QPIMQUGISA-N. The full InChI is InChI=1S/C4H9N5O2/c5-2(3(10)11)1-8-9-4(6)7/h1-2H,5H2,(H,10,11)(H4,6,7,9)/b8-1-.
What are the key properties of (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid?
(3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid has a molecular weight of 159.15 g/mol, XLogP of -2.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-amino-3-(diaminomethylidenehydrazinylidene)propanoic acid is sourced from PubChem (CID 87704037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).