3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

C14H23NO5 — CID 84715377

IUPAC3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCC2)(C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-7-14(9-15,11(16)17)19-10-5-4-6-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyPMXRBWGAELFUJR-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.02
Rot. Bonds3

About 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 84715377) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID84715377
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(OC2CCC2)(C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-7-14(9-15,11(16)17)19-10-5-4-6-10/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyPMXRBWGAELFUJR-UHFFFAOYSA-N
XLogP2.02
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 2-(1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 140810799
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 57429712
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
3-(2-hydroxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 103719547
3-(cyclobutylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 79422859
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid (CID 84715377) is 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC(OC2CCC2)(C(=O)O)C1.
What is the InChIKey of 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PMXRBWGAELFUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-8-7-14(9-15,11(16)17)19-10-5-4-6-10/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid?
3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 84715377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).