methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate

C13H24N2O4 — CID 166000123

IUPACmethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(CCNC(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-8-6-13(10(16)18-4)5-7-14-9-13/h14H,5-9H2,1-4H3,(H,15,17)
InChIKeyWLUBWVPLRKAGRE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.05
Rot. Bonds4

About methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate

methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate (PubChem CID 166000123) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate
PubChem CID166000123
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(CCNC(=O)OC(C)(C)C)CCNC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-8-6-13(10(16)18-4)5-7-14-9-13/h14H,5-9H2,1-4H3,(H,15,17)
InChIKeyWLUBWVPLRKAGRE-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658
methyl 1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 100953803
methyl 3-(methylsulfonylmethyl)pyrrolidine-3-carboxylate
CID 167723601
tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
CID 155821381
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
tert-butyl N-[2-(6-amino-1-methyl-1,4-diazepan-6-yl)ethyl]carbamate
CID 143373564
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl N-[2-[2-(4-hydroxyphenyl)azetidin-2-yl]ethyl]carbamate
CID 115059235

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate (CID 166000123) is methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate is COC(=O)C1(CCNC(=O)OC(C)(C)C)CCNC1.
What is the InChIKey of methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate?
The InChIKey is WLUBWVPLRKAGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-8-6-13(10(16)18-4)5-7-14-9-13/h14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate?
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 166000123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).