tert-butyl 1-propylpyrrolidine-2-carboxylate

C12H23NO2 — CID 23383587

IUPACtert-butyl 1-propylpyrrolidine-2-carboxylate
SMILESCCCN1CCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-8-13-9-6-7-10(13)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyFAQSAQZSGNGIMG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl 1-propylpyrrolidine-2-carboxylate

tert-butyl 1-propylpyrrolidine-2-carboxylate (PubChem CID 23383587) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 1-propylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-propylpyrrolidine-2-carboxylate
PubChem CID23383587
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 1-propylpyrrolidine-2-carboxylate
SMILESCCCN1CCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-8-13-9-6-7-10(13)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyFAQSAQZSGNGIMG-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2S)-1-(3-amino-3-oxopropyl)pyrrolidine-2-carboxylate
CID 81001922
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
tert-butyl (2S)-1-but-3-enylpyrrolidine-2-carboxylate
CID 81002810
tert-butyl (2S)-1-(3-ethylsulfanylpropyl)pyrrolidine-2-carboxylate
CID 103773649
tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
CID 80709141
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-propylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-propylpyrrolidine-2-carboxylate (CID 23383587) is tert-butyl 1-propylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-propylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-propylpyrrolidine-2-carboxylate is CCCN1CCCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-propylpyrrolidine-2-carboxylate?
The InChIKey is FAQSAQZSGNGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-8-13-9-6-7-10(13)11(14)15-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 1-propylpyrrolidine-2-carboxylate?
tert-butyl 1-propylpyrrolidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-propylpyrrolidine-2-carboxylate is sourced from PubChem (CID 23383587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).