methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate

C19H31N3O5 — CID 69293639

IUPACmethyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)[C@H](C(C)C)N1CCN(C2CCCC2)C1=O
InChIInChI=1S/C19H31N3O5/c1-12(2)16(17(24)22-11-14(23)10-15(22)18(25)27-3)21-9-8-20(19(21)26)13-6-4-5-7-13/h12-16,23H,4-11H2,1-3H3/t14?,15?,16-/m0/s1
InChIKeyAXUPOUSBQFTNPB-GPANFISMSA-N
MW381.47 g/mol
LogP0.83
Rot. Bonds5

About methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 69293639) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID69293639
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Namemethyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)[C@H](C(C)C)N1CCN(C2CCCC2)C1=O
InChIInChI=1S/C19H31N3O5/c1-12(2)16(17(24)22-11-14(23)10-15(22)18(25)27-3)21-9-8-20(19(21)26)13-6-4-5-7-13/h12-16,23H,4-11H2,1-3H3/t14?,15?,16-/m0/s1
InChIKeyAXUPOUSBQFTNPB-GPANFISMSA-N
XLogP0.83
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate (CID 69293639) is methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)[C@H](C(C)C)N1CCN(C2CCCC2)C1=O.
What is the InChIKey of methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is AXUPOUSBQFTNPB-GPANFISMSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-12(2)16(17(24)22-11-14(23)10-15(22)18(25)27-3)21-9-8-20(19(21)26)13-6-4-5-7-13/h12-16,23H,4-11H2,1-3H3/t14?,15?,16-/m0/s1.
What are the key properties of methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 381.47 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-2-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 69293639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).