tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate

C16H30N2O4 — CID 89464874

IUPACtert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@]1(C)NCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)10-16(7)11(8-9-17-16)18-13(20)22-15(4,5)6/h11,17H,8-10H2,1-7H3,(H,18,20)/t11-,16+/m0/s1
InChIKeyAZBQLSUTTUNSLK-MEDUHNTESA-N
MW314.43 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate

tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate (PubChem CID 89464874) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate
PubChem CID89464874
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@]1(C)NCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)10-16(7)11(8-9-17-16)18-13(20)22-15(4,5)6/h11,17H,8-10H2,1-7H3,(H,18,20)/t11-,16+/m0/s1
InChIKeyAZBQLSUTTUNSLK-MEDUHNTESA-N
XLogP2.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate with MolForge

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Related Compounds

tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
tert-butyl N-(4,4-dimethyl-5-oxopyrrolidin-3-yl)carbamate
CID 138113063

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate?
The IUPAC name of tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate (CID 89464874) is tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate is CC(C)(C)OC(=O)C[C@@]1(C)NCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate?
The InChIKey is AZBQLSUTTUNSLK-MEDUHNTESA-N. The full InChI is InChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)10-16(7)11(8-9-17-16)18-13(20)22-15(4,5)6/h11,17H,8-10H2,1-7H3,(H,18,20)/t11-,16+/m0/s1.
What are the key properties of tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate?
tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate has a molecular weight of 314.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate is sourced from PubChem (CID 89464874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).