methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate

C15H26N2O4 — CID 115971582

IUPACmethyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC(=O)N1CCCCCCC1
InChIInChI=1S/C15H26N2O4/c1-21-15(20)13-9-12(18)10-17(13)11-14(19)16-7-5-3-2-4-6-8-16/h12-13,18H,2-11H2,1H3
InChIKeyCSVYOSMMQLKVHK-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.39
Rot. Bonds3

About methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115971582) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115971582
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CC(=O)N1CCCCCCC1
InChIInChI=1S/C15H26N2O4/c1-21-15(20)13-9-12(18)10-17(13)11-14(19)16-7-5-3-2-4-6-8-16/h12-13,18H,2-11H2,1H3
InChIKeyCSVYOSMMQLKVHK-UHFFFAOYSA-N
XLogP0.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 115971683
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351773
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 66052045
methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
CID 112632836

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate (CID 115971582) is methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1CC(=O)N1CCCCCCC1.
What is the InChIKey of methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is CSVYOSMMQLKVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-15(20)13-9-12(18)10-17(13)11-14(19)16-7-5-3-2-4-6-8-16/h12-13,18H,2-11H2,1H3.
What are the key properties of methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115971582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).