3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide

C8H12N2O2 — CID 131036123

IUPAC3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide
SMILESC#CCNC(=O)N1CC(CO)C1
InChIInChI=1S/C8H12N2O2/c1-2-3-9-8(12)10-4-7(5-10)6-11/h1,7,11H,3-6H2,(H,9,12)
InChIKeyPVPRUSMMXKYPDP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.75
Rot. Bonds2

About 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide

3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide (PubChem CID 131036123) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide
PubChem CID131036123
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide
SMILESC#CCNC(=O)N1CC(CO)C1
InChIInChI=1S/C8H12N2O2/c1-2-3-9-8(12)10-4-7(5-10)6-11/h1,7,11H,3-6H2,(H,9,12)
InChIKeyPVPRUSMMXKYPDP-UHFFFAOYSA-N
XLogP-0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide 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

N-prop-2-ynylpyrrolidine-1-carboxamide
CID 112722494
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
3-(hydroxymethyl)-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
CID 146082032
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
3-amino-N-ethylazetidine-1-carboxamide
CID 63766743
1-acetyl-N-prop-2-ynylazetidine-3-carboxamide
CID 130736602
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
4-(2-aminoethyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 82508126
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 56553598
3-(3-bromophenoxy)-N-prop-2-ynylazetidine-1-carboxamide
CID 15053449
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide (CID 131036123) is 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide is C#CCNC(=O)N1CC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide?
The InChIKey is PVPRUSMMXKYPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-3-9-8(12)10-4-7(5-10)6-11/h1,7,11H,3-6H2,(H,9,12).
What are the key properties of 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide?
3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-prop-2-ynylazetidine-1-carboxamide is sourced from PubChem (CID 131036123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).