N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide

C11H20N2O2 — CID 114758784

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
SMILESNCCC1(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C11H20N2O2/c12-5-4-11(2-3-11)8-13-10(14)9-1-6-15-7-9/h9H,1-8,12H2,(H,13,14)
InChIKeyKDQVPDHUAHTWSW-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.27
Rot. Bonds5

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide (PubChem CID 114758784) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
PubChem CID114758784
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
SMILESNCCC1(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C11H20N2O2/c12-5-4-11(2-3-11)8-13-10(14)9-1-6-15-7-9/h9H,1-8,12H2,(H,13,14)
InChIKeyKDQVPDHUAHTWSW-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 115365575
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
CID 96569943
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]oxolane-3-carboxamide
CID 146074749
methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 112535165
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide (CID 114758784) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide is NCCC1(CNC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide?
The InChIKey is KDQVPDHUAHTWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-5-4-11(2-3-11)8-13-10(14)9-1-6-15-7-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 114758784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).