(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C14H22N2O4 — CID 119371463

IUPAC(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C14H22N2O4/c17-12-7-3-1-2-4-8-15(12)10-13(18)16-9-5-6-11(16)14(19)20/h11H,1-10H2,(H,19,20)/t11-/m1/s1
InChIKeyHCSHOKRBERKWFJ-LLVKDONJSA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds3

About (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371463) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119371463
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C14H22N2O4/c17-12-7-3-1-2-4-8-15(12)10-13(18)16-9-5-6-11(16)14(19)20/h11H,1-10H2,(H,19,20)/t11-/m1/s1
InChIKeyHCSHOKRBERKWFJ-LLVKDONJSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 142010852
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216347
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469
1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
(2S)-1-[2-(2-oxopiperidin-1-yl)acetyl]-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 142159186
(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371588
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119651125
4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 119371463) is (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CN1CCCCCCC1=O.
What is the InChIKey of (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HCSHOKRBERKWFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-7-3-1-2-4-8-15(12)10-13(18)16-9-5-6-11(16)14(19)20/h11H,1-10H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).