CID 88818502

C3H7KNO3 — CID 88818502

IUPAC—
SMILESCCOC(=O)NO.[K]
InChIInChI=1S/C3H7NO3.K/c1-2-7-3(5)4-6;/h6H,2H2,1H3,(H,4,5);
InChIKeyNGFFUTJHIAYZKV-UHFFFAOYSA-N
MW144.19 g/mol
LogP-0.26
Rot. Bonds1

About CID 88818502

CID 88818502 (PubChem CID 88818502) has the molecular formula C3H7KNO3 and a molecular weight of 144.19 g/mol.

Molecular Properties

Compound NameCID 88818502
PubChem CID88818502
Molecular FormulaC3H7KNO3
Molecular Weight144.19 g/mol
Exact Mass144.01
IUPAC Name—
SMILESCCOC(=O)NO.[K]
InChIInChI=1S/C3H7NO3.K/c1-2-7-3(5)4-6;/h6H,2H2,1H3,(H,4,5);
InChIKeyNGFFUTJHIAYZKV-UHFFFAOYSA-N
XLogP-0.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 88818502 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

ethyl N-hydroxycarbamate
CID 11510
butane;propyl N-hydroxycarbamate
CID 174767978
ethyl N-iodocarbamate
CID 21443578
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-fluorocarbamate;methane
CID 158743481
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl N-methylcarbamate;formaldehyde
CID 160650405
ethyl N-[(ethoxycarbonylamino)diazenyl]carbamate
CID 137234542
CID 175796855
CID 175796855
(ethoxycarbonylamino) 2-ethylbutanoate
CID 174978279
ethyl N-hydroxysulfanylcarbamate
CID 175112420
N-ethoxycarbonylcarbamothioate
CID 19787554

Frequently Asked Questions

What is the IUPAC name of CID 88818502?
The IUPAC name of CID 88818502 (CID 88818502) is not available.
What is the SMILES notation for CID 88818502?
The canonical SMILES for CID 88818502 is CCOC(=O)NO.[K].
What is the InChIKey of CID 88818502?
The InChIKey is NGFFUTJHIAYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.K/c1-2-7-3(5)4-6;/h6H,2H2,1H3,(H,4,5);.
What are the key properties of CID 88818502?
CID 88818502 has a molecular weight of 144.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88818502 is sourced from PubChem (CID 88818502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).