2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid

C14H22N2O4 — CID 61370469

IUPAC2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N2O4/c17-12-6-2-1-3-7-15(12)10-13(18)16-8-4-5-11(16)9-14(19)20/h11H,1-10H2,(H,19,20)
InChIKeyOQXNGYYCBZCRGL-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds4

About 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370469) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370469
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)CN1CCCCCC1=O
InChIInChI=1S/C14H22N2O4/c17-12-6-2-1-3-7-15(12)10-13(18)16-8-4-5-11(16)9-14(19)20/h11H,1-10H2,(H,19,20)
InChIKeyOQXNGYYCBZCRGL-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one;hydrochloride
CID 119651125
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 39954212
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 95621430
1-[2-[2-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63249417
(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 142010852
1-[2-oxo-2-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 129393001
2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 79327798
2-[1-(2-piperazin-1-ylacetyl)pyrrolidin-2-yl]acetic acid
CID 61371940
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid (CID 61370469) is 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)CN1CCCCCC1=O.
What is the InChIKey of 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is OQXNGYYCBZCRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-6-2-1-3-7-15(12)10-13(18)16-8-4-5-11(16)9-14(19)20/h11H,1-10H2,(H,19,20).
What are the key properties of 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 282.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).