tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

C15H28N2O3 — CID 80710341

IUPACtert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCC(C)N(C)C(=O)CN1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)16(6)13(18)10-17-9-7-8-12(17)14(19)20-15(3,4)5/h11-12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyXUSPGTITNMOMQA-GFCCVEGCSA-N
MW284.40 g/mol
LogP1.66
Rot. Bonds4

About tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 80710341) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID80710341
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCC(C)N(C)C(=O)CN1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)16(6)13(18)10-17-9-7-8-12(17)14(19)20-15(3,4)5/h11-12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyXUSPGTITNMOMQA-GFCCVEGCSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
tert-butyl (2S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylate
CID 81002230
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802
tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 80710850
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2S)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carboxylate
CID 103773648
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
tert-butyl (2R)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 80712298

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 80710341) is tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is CC(C)N(C)C(=O)CN1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is XUSPGTITNMOMQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)16(6)13(18)10-17-9-7-8-12(17)14(19)20-15(3,4)5/h11-12H,7-10H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 80710341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).