2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate

C10H20N2O2 — CID 142337471

IUPAC2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)COC(=O)NC1CCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)7-14-9(13)12-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyOQLRGVJOFHFQDT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.12
Rot. Bonds2

About 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate

2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate (PubChem CID 142337471) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
PubChem CID142337471
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)COC(=O)NC1CCNC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)7-14-9(13)12-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyOQLRGVJOFHFQDT-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
CID 156654436
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
CID 43603556
2-methoxyethyl N-piperidin-4-ylcarbamate
CID 15676970
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
N-pyrrolidin-3-ylpropanamide
CID 18337238
methyl (2S,4S)-4-(2,2-dimethylpropoxycarbonylamino)-1-methylpyrrolidine-2-carboxylate
CID 50973945
2-(diethylamino)ethyl N-piperidin-4-ylcarbamate
CID 15676972
2-methylbutan-2-yl N-piperidin-4-ylcarbamate
CID 67158317

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate?
The IUPAC name of 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate (CID 142337471) is 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate is CC(C)(C)COC(=O)NC1CCNC1.
What is the InChIKey of 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate?
The InChIKey is OQLRGVJOFHFQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)7-14-9(13)12-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate?
2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 142337471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).