5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide

C10H16N2O2 — CID 114417274

IUPAC5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
SMILESC#CC(C)NC(=O)C1CCC(CN)O1
InChIInChI=1S/C10H16N2O2/c1-3-7(2)12-10(13)9-5-4-8(6-11)14-9/h1,7-9H,4-6,11H2,2H3,(H,12,13)
InChIKeyUXBWYCLMXWTQAI-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.37
Rot. Bonds3

About 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide

5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide (PubChem CID 114417274) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
PubChem CID114417274
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide
SMILESC#CC(C)NC(=O)C1CCC(CN)O1
InChIInChI=1S/C10H16N2O2/c1-3-7(2)12-10(13)9-5-4-8(6-11)14-9/h1,7-9H,4-6,11H2,2H3,(H,12,13)
InChIKeyUXBWYCLMXWTQAI-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-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

(2S,5R)-5-(aminomethyl)-N-(1-cyclopentylethyl)oxolane-2-carboxamide;hydrochloride
CID 120792979
(2S,3R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 104965374
(2S,5R)-5-(aminomethyl)-N-(1-piperidin-1-ylpropan-2-yl)oxolane-2-carboxamide
CID 120798240
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367
(2S,5R)-5-(aminomethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]oxolane-2-carboxamide
CID 120784542
(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]oxolane-2-carboxamide;dihydrochloride
CID 120801089
(2R)-2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]pentanoic acid
CID 107564932
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide (CID 114417274) is 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide is C#CC(C)NC(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide?
The InChIKey is UXBWYCLMXWTQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-7(2)12-10(13)9-5-4-8(6-11)14-9/h1,7-9H,4-6,11H2,2H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide?
5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-but-3-yn-2-yloxolane-2-carboxamide is sourced from PubChem (CID 114417274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).