CID 135390032

C5H16N4O3 — CID 135390032

IUPAC—
SMILESC[N+](C)(C)CC(=O)[O-].N[NH+](N)[O-]
InChIInChI=1S/C5H11NO2.H5N3O/c1-6(2,3)4-5(7)8;1-3(2)4/h4H2,1-3H3;3H,1-2H2
InChIKeyVPFKEXCDSOKIAY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-4.44
Rot. Bonds2

About CID 135390032

CID 135390032 (PubChem CID 135390032) has the molecular formula C5H16N4O3 and a molecular weight of 180.21 g/mol.

Molecular Properties

Compound NameCID 135390032
PubChem CID135390032
Molecular FormulaC5H16N4O3
Molecular Weight180.21 g/mol
Exact Mass180.12
IUPAC Name—
SMILESC[N+](C)(C)CC(=O)[O-].N[NH+](N)[O-]
InChIInChI=1S/C5H11NO2.H5N3O/c1-6(2,3)4-5(7)8;1-3(2)4/h4H2,1-3H3;3H,1-2H2
InChIKeyVPFKEXCDSOKIAY-UHFFFAOYSA-N
XLogP-4.44
TPSA119.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-4.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze CID 135390032 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tri((113C)methyl)azaniumyl]acetate
CID 171379439
azane;2-(trimethylazaniumyl)acetate
CID 19995695
sulfanium 2-(trimethylazaniumyl)acetate
CID 22046245
formonitrile;2-(trimethylazaniumyl)acetate
CID 173415938
dimethylazanium;2-(trimethylazaniumyl)acetate
CID 22558275
butane;2-(trimethylazaniumyl)acetate
CID 129220851
2-amino-2-methylpropanoic acid;2-(trimethylazaniumyl)acetate
CID 155168121
2-(dimethylamino)propanoic acid;2-(trimethylazaniumyl)acetate
CID 166644612
2,2-bis(hydroxymethyl)propane-1,3-diol;2-(trimethylazaniumyl)acetate
CID 19431176
2-[carbamoyl(dimethyl)azaniumyl]acetate
CID 87750916
butanoic acid;2-(trimethylazaniumyl)acetate
CID 173357806
hexadecanoate;2-(trimethylazaniumyl)acetate
CID 22242455

Frequently Asked Questions

What is the IUPAC name of CID 135390032?
The IUPAC name of CID 135390032 (CID 135390032) is not available.
What is the SMILES notation for CID 135390032?
The canonical SMILES for CID 135390032 is C[N+](C)(C)CC(=O)[O-].N[NH+](N)[O-].
What is the InChIKey of CID 135390032?
The InChIKey is VPFKEXCDSOKIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.H5N3O/c1-6(2,3)4-5(7)8;1-3(2)4/h4H2,1-3H3;3H,1-2H2.
What are the key properties of CID 135390032?
CID 135390032 has a molecular weight of 180.21 g/mol, XLogP of -4.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135390032 is sourced from PubChem (CID 135390032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).