(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride

C9H19ClN2O — CID 130636662

IUPAC(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride
SMILESCC(C)C(C)NC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-6(2)7(3)11-9(12)8-4-5-10-8;/h6-8,10H,4-5H2,1-3H3,(H,11,12);1H/t7?,8-;/m1./s1
InChIKeyYRXPQSUABUVWSM-LTTWWRRRSA-N
MW206.72 g/mol
LogP0.93
Rot. Bonds3

About (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride

(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride (PubChem CID 130636662) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride
PubChem CID130636662
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride
SMILESCC(C)C(C)NC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-6(2)7(3)11-9(12)8-4-5-10-8;/h6-8,10H,4-5H2,1-3H3,(H,11,12);1H/t7?,8-;/m1./s1
InChIKeyYRXPQSUABUVWSM-LTTWWRRRSA-N
XLogP0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
(2R)-N-propan-2-ylazetidine-2-carboxamide
CID 128886462
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-N-(3-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 130934408
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
(3S)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 81123470
4-ethyl-N-(4-hydroxy-3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114429550
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride (CID 130636662) is (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride is CC(C)C(C)NC(=O)[C@H]1CCN1.Cl.
What is the InChIKey of (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride?
The InChIKey is YRXPQSUABUVWSM-LTTWWRRRSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-6(2)7(3)11-9(12)8-4-5-10-8;/h6-8,10H,4-5H2,1-3H3,(H,11,12);1H/t7?,8-;/m1./s1.
What are the key properties of (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride?
(2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylbutan-2-yl)azetidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130636662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).