(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride

C8H17ClN2O — CID 139022811

IUPAC(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@H]1CCCN1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-6(2)10-8(11)7-4-3-5-9-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyYSHNUOLUCUUALI-OGFXRTJISA-N
MW192.69 g/mol
LogP0.68
Rot. Bonds2

About (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride

(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 139022811) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID139022811
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)NC(=O)[C@H]1CCCN1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-6(2)10-8(11)7-4-3-5-9-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyYSHNUOLUCUUALI-OGFXRTJISA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
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(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride (CID 139022811) is (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride is CC(C)NC(=O)[C@H]1CCCN1.Cl.
What is the InChIKey of (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YSHNUOLUCUUALI-OGFXRTJISA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-6(2)10-8(11)7-4-3-5-9-7;/h6-7,9H,3-5H2,1-2H3,(H,10,11);1H/t7-;/m1./s1.
What are the key properties of (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride?
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 139022811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).