(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide

C12H22N2O3 — CID 120790364

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCCOCC2CC2)O1
InChIInChI=1S/C12H22N2O3/c13-7-10-3-4-11(17-10)12(15)14-5-6-16-8-9-1-2-9/h9-11H,1-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyJCKORIHTVNBNOO-MNOVXSKESA-N
MW242.32 g/mol
LogP0.04
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide (PubChem CID 120790364) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
PubChem CID120790364
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCCOCC2CC2)O1
InChIInChI=1S/C12H22N2O3/c13-7-10-3-4-11(17-10)12(15)14-5-6-16-8-9-1-2-9/h9-11H,1-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyJCKORIHTVNBNOO-MNOVXSKESA-N
XLogP0.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(Methylamino)propyl]oxolane-2-carboxamide
CID 10535559
N-(2-methylpropyl)oxolane-2-carboxamide
CID 3307864
Cyclopropanecarboxamide, N-tetrahydrofurfuryl-
CID 532026
5-(aminomethyl)-N,N-dimethyloxolane-2-carboxamide hydrochloride
CID 71758099
(2R)-N-(2-cyclopropyl-2-methoxypropyl)oxolane-2-carboxamide
CID 121568351
N-Propyltetrahydrofuran-2-carboxamide
CID 4054933
5-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 80002175
5-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 80003179
5-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 80003687
5-(aminomethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 80009096
5-(aminomethyl)-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 80009857
5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-2-carboxamide
CID 80012249

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide (CID 120790364) is (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCCOCC2CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide?
The InChIKey is JCKORIHTVNBNOO-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O3/c13-7-10-3-4-11(17-10)12(15)14-5-6-16-8-9-1-2-9/h9-11H,1-8,13H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120790364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).