tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate

C18H31NO5 — CID 15256254

IUPACtert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate
SMILESCC(C)(C)OC(=O)CCC1(CCC(=O)OC(C)(C)C)CCC(=O)N1
InChIInChI=1S/C18H31NO5/c1-16(2,3)23-14(21)8-11-18(10-7-13(20)19-18)12-9-15(22)24-17(4,5)6/h7-12H2,1-6H3,(H,19,20)
InChIKeyGXAPBRWALMLZRZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.88
Rot. Bonds6

About tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate

tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 15256254) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate
PubChem CID15256254
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Nametert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate
SMILESCC(C)(C)OC(=O)CCC1(CCC(=O)OC(C)(C)C)CCC(=O)N1
InChIInChI=1S/C18H31NO5/c1-16(2,3)23-14(21)8-11-18(10-7-13(20)19-18)12-9-15(22)24-17(4,5)6/h7-12H2,1-6H3,(H,19,20)
InChIKeyGXAPBRWALMLZRZ-UHFFFAOYSA-N
XLogP2.88
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Methyl-5-oxopyrrolidin-2-yl)propanoic acid
CID 13011452
2,2-Pyrrolidinedipropanoic acid, 5-oxo-, dimethyl ester
CID 11253889
Dendron P5
CID 11967743
Ditert-butyl 4-(6-aminohexanoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
CID 24746546
4-Acetylamino-4-(2-tert-butoxycarbonyl-ethyl)-heptanedioic acid di-tert-butyl ester
CID 86711090
Ditert-butyl 4-(hexadecanoylamino)-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]heptanedioate
CID 101378408
Methyl 2-(3-hydroxypropyl)-5-oxo-2-pyrrolidinepropanoate
CID 588463
3,3'-(5-Oxopyrrolidine-2,2-diyl)dipropanoic acid
CID 13306702
Diethyl 3,3'-(5-oxopyrrolidine-2,2-diyl)dipropanoate
CID 13306703
5-Oxo-2,2-pyrrolidinedipropanoic acid monomethyl ester
CID 13646943
Methyl 3-(2-methyl-5-oxo-2-pyrrolidinyl)propanoate
CID 14433785
Methyl 3-[2-(2-methoxy-2-oxoethyl)-5-oxopyrrolidin-2-yl]propanoate
CID 20614729

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate (CID 15256254) is tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate is CC(C)(C)OC(=O)CCC1(CCC(=O)OC(C)(C)C)CCC(=O)N1.
What is the InChIKey of tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is GXAPBRWALMLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-16(2,3)23-14(21)8-11-18(10-7-13(20)19-18)12-9-15(22)24-17(4,5)6/h7-12H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate?
tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 341.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 15256254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).