3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide

C10H19N3O — CID 131114361

IUPAC3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide
SMILESCC1(C)CNC1C(=O)NC1CCNC1
InChIInChI=1S/C10H19N3O/c1-10(2)6-12-8(10)9(14)13-7-3-4-11-5-7/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyYZQRAEYOCCGBSU-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.54
Rot. Bonds2

About 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide

3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide (PubChem CID 131114361) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide
PubChem CID131114361
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide
SMILESCC1(C)CNC1C(=O)NC1CCNC1
InChIInChI=1S/C10H19N3O/c1-10(2)6-12-8(10)9(14)13-7-3-4-11-5-7/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)
InChIKeyYZQRAEYOCCGBSU-UHFFFAOYSA-N
XLogP-0.54
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3,3-dimethylazetidine-2-carboxamide;hydrochloride
CID 130978326
2,2-dimethyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119030831
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
2,2,3,3-tetramethyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 66477619
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
2,2-dimethyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 107181064
N-pyrrolidin-3-ylcyclopentanecarboxamide;hydrochloride
CID 146675555
3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 131067891
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
2-ethyl-2-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119426750
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide (CID 131114361) is 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide is CC1(C)CNC1C(=O)NC1CCNC1.
What is the InChIKey of 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide?
The InChIKey is YZQRAEYOCCGBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2)6-12-8(10)9(14)13-7-3-4-11-5-7/h7-8,11-12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide?
3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide has a molecular weight of 197.28 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide is sourced from PubChem (CID 131114361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).