[amino(cyclopropyl)methyl] formate

C5H9NO2 — CID 175259490

IUPAC[amino(cyclopropyl)methyl] formate
SMILESNC(OC=O)C1CC1
InChIInChI=1S/C5H9NO2/c6-5(8-3-7)4-1-2-4/h3-5H,1-2,6H2
InChIKeyYJZHIMJPUJMBLR-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.15
Rot. Bonds3

About [amino(cyclopropyl)methyl] formate

[amino(cyclopropyl)methyl] formate (PubChem CID 175259490) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is [amino(cyclopropyl)methyl] formate.

Molecular Properties

Compound Name[amino(cyclopropyl)methyl] formate
PubChem CID175259490
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name[amino(cyclopropyl)methyl] formate
SMILESNC(OC=O)C1CC1
InChIInChI=1S/C5H9NO2/c6-5(8-3-7)4-1-2-4/h3-5H,1-2,6H2
InChIKeyYJZHIMJPUJMBLR-UHFFFAOYSA-N
XLogP-0.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [amino(cyclopropyl)methyl] formate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [amino(cyclopropyl)methyl] formate?
The IUPAC name of [amino(cyclopropyl)methyl] formate (CID 175259490) is [amino(cyclopropyl)methyl] formate.
What is the SMILES notation for [amino(cyclopropyl)methyl] formate?
The canonical SMILES for [amino(cyclopropyl)methyl] formate is NC(OC=O)C1CC1.
What is the InChIKey of [amino(cyclopropyl)methyl] formate?
The InChIKey is YJZHIMJPUJMBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c6-5(8-3-7)4-1-2-4/h3-5H,1-2,6H2.
What are the key properties of [amino(cyclopropyl)methyl] formate?
[amino(cyclopropyl)methyl] formate has a molecular weight of 115.13 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(cyclopropyl)methyl] formate is sourced from PubChem (CID 175259490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).