1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

C12H20N2O4 — CID 119355725

IUPAC1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
SMILESCCNC(=O)CCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-13-10(15)6-3-7-11(16)14-8-4-5-9(14)12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyKNFVDLYTQHBXPD-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.37
Rot. Bonds6

About 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid

1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355725) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119355725
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
SMILESCCNC(=O)CCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-13-10(15)6-3-7-11(16)14-8-4-5-9(14)12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyKNFVDLYTQHBXPD-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
CID 160598111
CID 160598111
(2R)-1-nonanoylpyrrolidine-2-carboxylic acid
CID 69287146
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
(2R)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 55151526
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
(2S)-1-octadec-9-enoylpyrrolidine-2-carboxylic acid
CID 54443907
(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
CID 52922068
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
1-decanoylazepane-2-carboxylic acid
CID 64558604

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid (CID 119355725) is 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid is CCNC(=O)CCCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KNFVDLYTQHBXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-13-10(15)6-3-7-11(16)14-8-4-5-9(14)12(17)18/h9H,2-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid?
1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).