methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate

C14H22N2O5 — CID 115971295

IUPACmethyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N2O5/c1-21-14(20)11-7-10(17)8-16(11)13(19)9-15-6-4-2-3-5-12(15)18/h10-11,17H,2-9H2,1H3
InChIKeyIHSFVAYOULJTPJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.48
Rot. Bonds3

About methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 115971295) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID115971295
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Namemethyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N2O5/c1-21-14(20)11-7-10(17)8-16(11)13(19)9-15-6-4-2-3-5-12(15)18/h10-11,17H,2-9H2,1H3
InChIKeyIHSFVAYOULJTPJ-UHFFFAOYSA-N
XLogP-0.48
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
CID 115670168
methyl (3S,4R)-3-methyl-1-[2-(2-oxoazocan-1-yl)acetyl]piperidine-4-carboxylate
CID 124619916
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971582
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356
methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 112632463
(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 142010852
methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
CID 115970997
1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
CID 51081736
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate (CID 115971295) is methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)CN1CCCCCC1=O.
What is the InChIKey of methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is IHSFVAYOULJTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-14(20)11-7-10(17)8-16(11)13(19)9-15-6-4-2-3-5-12(15)18/h10-11,17H,2-9H2,1H3.
What are the key properties of methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 298.34 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).