1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid

C14H24N2O3 — CID 54867602

IUPAC1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCN1CCCC1
InChIInChI=1S/C14H24N2O3/c17-12(15-7-10-16-8-3-4-9-16)11-14(13(18)19)5-1-2-6-14/h1-11H2,(H,15,17)(H,18,19)
InChIKeyNOFBCKKWSZIIKY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds6

About 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 54867602) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID54867602
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCN1CCCC1
InChIInChI=1S/C14H24N2O3/c17-12(15-7-10-16-8-3-4-9-16)11-14(13(18)19)5-1-2-6-14/h1-11H2,(H,15,17)(H,18,19)
InChIKeyNOFBCKKWSZIIKY-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-pyrrolidin-1-ylethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436892
1-[2-oxo-2-(propylamino)ethyl]cyclooctane-1-carboxylic acid
CID 102538298
1-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529270
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79854985
1-[2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114515072
1-[2-(2-acetamidoethylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43402208
1-[2-(3-hydroxypropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60889868
1-[2-(butylamino)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529487
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 83005184
1-[2-oxo-2-(piperidin-1-ylamino)ethyl]cyclohexane-1-carboxylic acid
CID 83004969
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid (CID 54867602) is 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCCN1CCCC1.
What is the InChIKey of 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is NOFBCKKWSZIIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12(15-7-10-16-8-3-4-9-16)11-14(13(18)19)5-1-2-6-14/h1-11H2,(H,15,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54867602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).