(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride

C13H23ClN4O2 — CID 120788413

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@@H]1CC[C@H](CN)O1)Cn1cccn1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-10(9-17-6-2-5-16-17)8-15-13(18)12-4-3-11(7-14)19-12;/h2,5-6,10-12H,3-4,7-9,14H2,1H3,(H,15,18);1H/t10?,11-,12+;/m1./s1
InChIKeyGLHHDTVZFGVOQY-TZUZVIBKSA-N
MW302.81 g/mol
LogP0.56
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120788413) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
PubChem CID120788413
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)[C@@H]1CC[C@H](CN)O1)Cn1cccn1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-10(9-17-6-2-5-16-17)8-15-13(18)12-4-3-11(7-14)19-12;/h2,5-6,10-12H,3-4,7-9,14H2,1H3,(H,15,18);1H/t10?,11-,12+;/m1./s1
InChIKeyGLHHDTVZFGVOQY-TZUZVIBKSA-N
XLogP0.56
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119734111
N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119295241
5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786907
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-4-methylpentyl]oxolane-2-carboxamide;dihydrochloride
CID 120797665
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propyl]oxolane-2-carboxamide;hydrochloride
CID 120794703
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide;hydrochloride
CID 120793983
4-(1-hydroxyethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 111438395
(2S,5R)-5-(aminomethyl)-N-(2-methoxy-2-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120785607
(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride (CID 120788413) is (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride is CC(CNC(=O)[C@@H]1CC[C@H](CN)O1)Cn1cccn1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is GLHHDTVZFGVOQY-TZUZVIBKSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-10(9-17-6-2-5-16-17)8-15-13(18)12-4-3-11(7-14)19-12;/h2,5-6,10-12H,3-4,7-9,14H2,1H3,(H,15,18);1H/t10?,11-,12+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120788413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).