(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride

C14H27Cl2N3O2 — CID 120801529

IUPAC(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)[C@@H]2CC[C@H](CN)O2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-9-6-10(8-17(9)11-2-3-11)16-14(18)13-5-4-12(7-15)19-13;;/h9-13H,2-8,15H2,1H3,(H,16,18);2*1H/t9?,10?,12-,13+;;/m1../s1
InChIKeyKIJOINQWIHEIDG-OPNHKUHKSA-N
MW340.30 g/mol
LogP1.08
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride (PubChem CID 120801529) has the molecular formula C14H27Cl2N3O2 and a molecular weight of 340.30 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
PubChem CID120801529
Molecular FormulaC14H27Cl2N3O2
Molecular Weight340.30 g/mol
Exact Mass339.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
SMILESCC1CC(NC(=O)[C@@H]2CC[C@H](CN)O2)CN1C1CC1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-9-6-10(8-17(9)11-2-3-11)16-14(18)13-5-4-12(7-15)19-13;;/h9-13H,2-8,15H2,1H3,(H,16,18);2*1H/t9?,10?,12-,13+;;/m1../s1
InChIKeyKIJOINQWIHEIDG-OPNHKUHKSA-N
XLogP1.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride with MolForge

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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-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
5-(aminomethyl)-N-(2-methyloxan-4-yl)oxolane-2-carboxamide
CID 114107782
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
(2S,5R)-5-(aminomethyl)-N-(3-ethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120794013
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401
5-(aminomethyl)-N-(thiolan-3-yl)oxolane-2-carboxamide
CID 103063003
(2S,5R)-5-(aminomethyl)-N-(4-butylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120789873
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
CID 119900365
(2S,5R)-5-(aminomethyl)-N-(3-oxaspiro[5.5]undecan-9-yl)oxolane-2-carboxamide;hydrochloride
CID 120796425
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride (CID 120801529) is (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride is CC1CC(NC(=O)[C@@H]2CC[C@H](CN)O2)CN1C1CC1.Cl.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride?
The InChIKey is KIJOINQWIHEIDG-OPNHKUHKSA-N. The full InChI is InChI=1S/C14H25N3O2.2ClH/c1-9-6-10(8-17(9)11-2-3-11)16-14(18)13-5-4-12(7-15)19-13;;/h9-13H,2-8,15H2,1H3,(H,16,18);2*1H/t9?,10?,12-,13+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 1.08, 4 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-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120801529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).