2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide

C12H22N2O3 — CID 106101531

IUPAC2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H22N2O3/c13-6-9-2-1-3-10(9)11(15)14-7-12(16)4-5-17-8-12/h9-10,16H,1-8,13H2,(H,14,15)
InChIKeyMWGDQPQPLWOWMS-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.37
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide

2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 106101531) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID106101531
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESNCC1CCCC1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H22N2O3/c13-6-9-2-1-3-10(9)11(15)14-7-12(16)4-5-17-8-12/h9-10,16H,1-8,13H2,(H,14,15)
InChIKeyMWGDQPQPLWOWMS-UHFFFAOYSA-N
XLogP-0.37
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785
2-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclopentane-1-carboxamide
CID 112702843
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
1-[[[2-(aminomethyl)cyclopentanecarbonyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442593
4-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]oxolane-3-carboxamide
CID 114143542
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
4-ethyl-2-[(3-hydroxyoxolan-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106099745
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
3-amino-3-cyclopropyl-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101542

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide (CID 106101531) is 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide is NCC1CCCC1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is MWGDQPQPLWOWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-6-9-2-1-3-10(9)11(15)14-7-12(16)4-5-17-8-12/h9-10,16H,1-8,13H2,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide?
2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106101531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).