tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C16H30N2O3 — CID 80710850

IUPACtert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCC(C)C(C)NC(=O)CN1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)12(3)17-14(19)10-18-9-7-8-13(18)15(20)21-16(4,5)6/h11-13H,7-10H2,1-6H3,(H,17,19)/t12?,13-/m1/s1
InChIKeyWVRGNKFQXKMSSZ-ZGTCLIOFSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds5

About tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 80710850) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID80710850
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCC(C)C(C)NC(=O)CN1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-11(2)12(3)17-14(19)10-18-9-7-8-13(18)15(20)21-16(4,5)6/h11-13H,7-10H2,1-6H3,(H,17,19)/t12?,13-/m1/s1
InChIKeyWVRGNKFQXKMSSZ-ZGTCLIOFSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
tert-butyl (2R)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 80710341
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2S)-1-(2-propan-2-ylsulfonylethyl)pyrrolidine-2-carboxylate
CID 103773648
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 80710850) is tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is CC(C)C(C)NC(=O)CN1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is WVRGNKFQXKMSSZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)12(3)17-14(19)10-18-9-7-8-13(18)15(20)21-16(4,5)6/h11-13H,7-10H2,1-6H3,(H,17,19)/t12?,13-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 80710850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).