tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate

C13H23NO2 — CID 167732516

IUPACtert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14-7-6-11(9-14)8-10-4-5-10/h10-11H,4-9H2,1-3H3
InChIKeyPTYOVLIZAKHBNN-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.04
Rot. Bonds2

About tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate (PubChem CID 167732516) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
PubChem CID167732516
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nametert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CC2)C1
InChIInChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14-7-6-11(9-14)8-10-4-5-10/h10-11H,4-9H2,1-3H3
InChIKeyPTYOVLIZAKHBNN-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
tert-butyl 3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]azetidine-1-carboxylate
CID 171082396
tert-butyl (3R)-3-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 130861472
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-(2-chloroethyl)pyrrolidine-1-carboxylate
CID 71630011
2-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetate
CID 35549272
tert-butyl (3R)-3-(2-amino-2-oxoethyl)pyrrolidine-1-carboxylate
CID 152550195
tert-butyl 3-[[hydroxy(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 105488235
tert-butyl 3-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate
CID 66563815
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate (CID 167732516) is tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC2CC2)C1.
What is the InChIKey of tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is PTYOVLIZAKHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,3)16-12(15)14-7-6-11(9-14)8-10-4-5-10/h10-11H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167732516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).