(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide

C6H11N5O3 — CID 172963608

IUPAC(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide
SMILESN#CCC(N)=O.NC(=O)C/C(N)=N/O
InChIInChI=1S/C3H7N3O2.C3H4N2O/c4-2(6-8)1-3(5)7;4-2-1-3(5)6/h8H,1H2,(H2,4,6)(H2,5,7);1H2,(H2,5,6)
InChIKeySUINEGOIFUEEBV-UHFFFAOYSA-N
MW201.19 g/mol
LogP-2.01
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide

(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide (PubChem CID 172963608) has the molecular formula C6H11N5O3 and a molecular weight of 201.19 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide
PubChem CID172963608
Molecular FormulaC6H11N5O3
Molecular Weight201.19 g/mol
Exact Mass201.09
IUPAC Name(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide
SMILESN#CCC(N)=O.NC(=O)C/C(N)=N/O
InChIInChI=1S/C3H7N3O2.C3H4N2O/c4-2(6-8)1-3(5)7;4-2-1-3(5)6/h8H,1H2,(H2,4,6)(H2,5,7);1H2,(H2,5,6)
InChIKeySUINEGOIFUEEBV-UHFFFAOYSA-N
XLogP-2.01
TPSA168.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyanoacetamide;trifluoroborane
CID 174856023
azanide;tris(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259455
1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
2-cyanoacetamide;N,N-dimethylformamide
CID 175162617
N'-hydroxy-3-oxobutanimidamide
CID 23339865
bis(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259453
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
CID 2777210
2-[[(2Z)-2-amino-2-hydroxyiminoethyl]amino]-N'-hydroxyethanimidamide;2-(cyanomethylamino)acetonitrile
CID 157354439
4-amino-4-hydroxyiminobutanamide
CID 71436462
2-[(2-amino-2-hydroxyiminoethyl)amino]acetamide
CID 77027895
propanediamide
CID 7911

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide (CID 172963608) is (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide is N#CCC(N)=O.NC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide?
The InChIKey is SUINEGOIFUEEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.C3H4N2O/c4-2(6-8)1-3(5)7;4-2-1-3(5)6/h8H,1H2,(H2,4,6)(H2,5,7);1H2,(H2,5,6).
What are the key properties of (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide?
(3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide has a molecular weight of 201.19 g/mol, XLogP of -2.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyiminopropanamide;2-cyanoacetamide is sourced from PubChem (CID 172963608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).