(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide

C13H27N3O — CID 122081656

IUPAC(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCN1)C(C)(C)CN(C)C
InChIInChI=1S/C13H27N3O/c1-10(13(2,3)9-16(4)5)15-12(17)11-7-6-8-14-11/h10-11,14H,6-9H2,1-5H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyMMYNJHUAPMZLGM-DTIOYNMSSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 122081656) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID122081656
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCN1)C(C)(C)CN(C)C
InChIInChI=1S/C13H27N3O/c1-10(13(2,3)9-16(4)5)15-12(17)11-7-6-8-14-11/h10-11,14H,6-9H2,1-5H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyMMYNJHUAPMZLGM-DTIOYNMSSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119894001
N-(3,3-dimethylbutan-2-yl)azocane-2-carboxamide
CID 114240215
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N-[1-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide
CID 54958647
N-[1-(dimethylamino)-3-methylbutan-2-yl]azepane-2-carboxamide
CID 64562293
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 112737475
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide (CID 122081656) is (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide is CC(NC(=O)[C@@H]1CCCN1)C(C)(C)CN(C)C.
What is the InChIKey of (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is MMYNJHUAPMZLGM-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(13(2,3)9-16(4)5)15-12(17)11-7-6-8-14-11/h10-11,14H,6-9H2,1-5H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122081656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).