tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate

C16H29N3O4 — CID 95317988

IUPACtert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate
SMILESCCN1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C16H29N3O4/c1-7-19-9-11(8-12(19)20)13(21)18-16(5,6)10-17-14(22)23-15(2,3)4/h11H,7-10H2,1-6H3,(H,17,22)(H,18,21)/t11-/m1/s1
InChIKeyJHYJCUUEBPQZQO-LLVKDONJSA-N
MW327.43 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate

tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate (PubChem CID 95317988) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate
PubChem CID95317988
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nametert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate
SMILESCCN1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C16H29N3O4/c1-7-19-9-11(8-12(19)20)13(21)18-16(5,6)10-17-14(22)23-15(2,3)4/h11H,7-10H2,1-6H3,(H,17,22)(H,18,21)/t11-/m1/s1
InChIKeyJHYJCUUEBPQZQO-LLVKDONJSA-N
XLogP1.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-methyl-2-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propyl]carbamate
CID 95285902
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 103840212
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
(3R)-1-butyl-5-oxo-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 9399795
1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690445
(3R)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206513
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514
1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyldisulfanyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690443
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate (CID 95317988) is tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate is CCN1C[C@H](C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate?
The InChIKey is JHYJCUUEBPQZQO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-7-19-9-11(8-12(19)20)13(21)18-16(5,6)10-17-14(22)23-15(2,3)4/h11H,7-10H2,1-6H3,(H,17,22)(H,18,21)/t11-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate?
tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropyl]carbamate is sourced from PubChem (CID 95317988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).