5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide

C12H22N2O3 — CID 114107782

IUPAC5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
SMILESCC1CC(NC(=O)C2CCC(CN)O2)CCO1
InChIInChI=1S/C12H22N2O3/c1-8-6-9(4-5-16-8)14-12(15)11-3-2-10(7-13)17-11/h8-11H,2-7,13H2,1H3,(H,14,15)
InChIKeyJCHDINQKBBMTGL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.18
Rot. Bonds3

About 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide

5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide (PubChem CID 114107782) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
PubChem CID114107782
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
SMILESCC1CC(NC(=O)C2CCC(CN)O2)CCO1
InChIInChI=1S/C12H22N2O3/c1-8-6-9(4-5-16-8)14-12(15)11-3-2-10(7-13)17-11/h8-11H,2-7,13H2,1H3,(H,14,15)
InChIKeyJCHDINQKBBMTGL-UHFFFAOYSA-N
XLogP0.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2S,5R)-5-(aminomethyl)-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)oxolane-2-carboxamide
CID 120794144
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
(2S,5R)-5-(aminomethyl)-N-(2-propylcyclopropyl)oxolane-2-carboxamide
CID 120796188
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide (CID 114107782) is 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide is CC1CC(NC(=O)C2CCC(CN)O2)CCO1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide?
The InChIKey is JCHDINQKBBMTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-6-9(4-5-16-8)14-12(15)11-3-2-10(7-13)17-11/h8-11H,2-7,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 114107782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).