tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate

C16H26N2O5 — CID 10336499

IUPACtert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@]1(C(=O)NCC(=O)OC)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O5/c1-6-8-16(13(20)17-11-12(19)22-5)9-7-10-18(16)14(21)23-15(2,3)4/h6H,1,7-11H2,2-5H3,(H,17,20)/t16-/m0/s1
InChIKeyZDHZVCFHBJZKIC-INIZCTEOSA-N
MW326.39 g/mol
LogP1.62
Rot. Bonds5

About tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 10336499) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID10336499
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@@]1(C(=O)NCC(=O)OC)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O5/c1-6-8-16(13(20)17-11-12(19)22-5)9-7-10-18(16)14(21)23-15(2,3)4/h6H,1,7-11H2,2-5H3,(H,17,20)/t16-/m0/s1
InChIKeyZDHZVCFHBJZKIC-INIZCTEOSA-N
XLogP1.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (5R,7Z,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodec-7-ene-10-carboxylate
CID 134842544
tert-butyl (2S)-2-[4-(hydroxymethyl)hepta-1,6-dien-4-ylcarbamoyl]pyrrolidine-1-carboxylate
CID 138967219
tert-butyl (2S,3R)-3-ethenyl-2-[5-methylhex-1-en-3-yl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 164674605
tert-butyl (2S)-2-but-3-enyl-2-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 24805633
methyl (2R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]-2-prop-2-enylpyrrolidine-2-carboxylate
CID 57558942
methyl (6S,8Z,10aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-1,2,3,6,7,10-hexahydropyrrolo[1,2-a]azocine-10a-carboxylate
CID 57558949
tert-butyl 2-[[(1R)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 57764566
methyl (2S)-2-[(3S)-3-acetamido-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl]pent-4-enoate
CID 58813112
methyl (2R)-2-[(3S)-3-acetamido-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl]pent-4-enoate
CID 58813113
trans-ethyl (1R,2S)-2-ethenyl-1-[[(2S,4R)-4-ethyl-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 58868635
tert-butyl (2S,4R)-2-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-4-methylpyrrolidine-1-carboxylate
CID 59344618
tert-butyl (2S,4R)-2-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]-4-ethylpyrrolidine-1-carboxylate
CID 59344660

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate (CID 10336499) is tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@@]1(C(=O)NCC(=O)OC)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is ZDHZVCFHBJZKIC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-6-8-16(13(20)17-11-12(19)22-5)9-7-10-18(16)14(21)23-15(2,3)4/h6H,1,7-11H2,2-5H3,(H,17,20)/t16-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 326.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2-methoxy-2-oxoethyl)carbamoyl]-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 10336499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).