(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid

C5H12N4O2 — CID 143455863

IUPAC(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid
SMILESCCN(N)/N=C(\N)CC(=O)O
InChIInChI=1S/C5H12N4O2/c1-2-9(7)8-4(6)3-5(10)11/h2-3,7H2,1H3,(H2,6,8)(H,10,11)
InChIKeyUDBXSJJMKBLAKO-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.07
Rot. Bonds4

About (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid

(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid (PubChem CID 143455863) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid
PubChem CID143455863
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid
SMILESCCN(N)/N=C(\N)CC(=O)O
InChIInChI=1S/C5H12N4O2/c1-2-9(7)8-4(6)3-5(10)11/h2-3,7H2,1H3,(H2,6,8)(H,10,11)
InChIKeyUDBXSJJMKBLAKO-UHFFFAOYSA-N
XLogP-1.07
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
propanamide;propanedioic acid
CID 174420039
3-amino-3-methylsulfinyliminopropanoic acid
CID 123165776
N-amino-N-ethylnitrous amide
CID 23266213
propanoic acid;urea
CID 22102181
azane;3-ethoxy-3-oxopropanoic acid
CID 173322885
methanol;propanedioic acid
CID 87156965
4-(diethylamino)-3-oxobutanoic acid
CID 89310098
3-(1-aminoethylideneamino)-3-oxopropanoic acid
CID 137434238
3-amino-3-oxopropanoic acid;sulfane
CID 175305648
azane;2-oxobutanedioic acid
CID 173216121
1-amino-1-ethyl-3-ethylideneurea
CID 151956805

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid?
The IUPAC name of (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid (CID 143455863) is (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid.
What is the SMILES notation for (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid?
The canonical SMILES for (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid is CCN(N)/N=C(\N)CC(=O)O.
What is the InChIKey of (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid?
The InChIKey is UDBXSJJMKBLAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-2-9(7)8-4(6)3-5(10)11/h2-3,7H2,1H3,(H2,6,8)(H,10,11).
What are the key properties of (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid?
(3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid has a molecular weight of 160.18 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-[amino(ethyl)hydrazinylidene]propanoic acid is sourced from PubChem (CID 143455863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).