N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide

C13H24N2O2 — CID 121197654

IUPACN-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)14-12(16)15-7-6-11(8-15)17-9-10-4-5-10/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyZPRRIBQCTDBXBU-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

About N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide

N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide (PubChem CID 121197654) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
PubChem CID121197654
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(OCC2CC2)C1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)14-12(16)15-7-6-11(8-15)17-9-10-4-5-10/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyZPRRIBQCTDBXBU-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethoxy)-N-propylpyrrolidine-1-carboxamide
CID 121197651
3-(cyclopropylmethoxy)-N-prop-2-enylpyrrolidine-1-carboxamide
CID 121197691
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
3-(cyclopropylmethoxy)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121197684
N-tert-butyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115695099
3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 121197558
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356040
cyclobutylmethyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356038
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 121197489
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 121197601

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide (CID 121197654) is N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(OCC2CC2)C1.
What is the InChIKey of N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
The InChIKey is ZPRRIBQCTDBXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)14-12(16)15-7-6-11(8-15)17-9-10-4-5-10/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide?
N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121197654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).