(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride

C13H27Cl2N3O2 — CID 120796881

IUPAC(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCCN1CCCC1CNC(=O)[C@@H]1CC[C@H](CN)O1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-2-16-7-3-4-10(16)9-15-13(17)12-6-5-11(8-14)18-12;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H/t10?,11-,12+;;/m1../s1
InChIKeyVXUGLFREJAEWHV-GGHJNTARSA-N
MW328.28 g/mol
LogP0.94
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120796881) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120796881
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCCN1CCCC1CNC(=O)[C@@H]1CC[C@H](CN)O1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-2-16-7-3-4-10(16)9-15-13(17)12-6-5-11(8-14)18-12;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H/t10?,11-,12+;;/m1../s1
InChIKeyVXUGLFREJAEWHV-GGHJNTARSA-N
XLogP0.94
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyloxolane-2-carboxamide;dihydrochloride
CID 120800269
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
(2S,5R)-5-(aminomethyl)-N-(oxan-2-ylmethyl)oxolane-2-carboxamide
CID 120789270
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
CID 62781980
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylpiperidin-1-yl)propyl]oxolane-2-carboxamide;dihydrochloride
CID 120798191
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 21151144
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride (CID 120796881) is (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride is CCN1CCCC1CNC(=O)[C@@H]1CC[C@H](CN)O1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is VXUGLFREJAEWHV-GGHJNTARSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-2-16-7-3-4-10(16)9-15-13(17)12-6-5-11(8-14)18-12;;/h10-12H,2-9,14H2,1H3,(H,15,17);2*1H/t10?,11-,12+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.94, 5 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-[(1-ethylpyrrolidin-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120796881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).