1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C12H18N2O5 — CID 22717280

IUPAC1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N2O5/c15-10(14-6-2-4-9(14)12(18)19)7-13-5-1-3-8(13)11(16)17/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyFAMAAFYRRBBFGT-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.39
Rot. Bonds4

About 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 22717280) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID22717280
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1CC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N2O5/c15-10(14-6-2-4-9(14)12(18)19)7-13-5-1-3-8(13)11(16)17/h8-9H,1-7H2,(H,16,17)(H,18,19)
InChIKeyFAMAAFYRRBBFGT-UHFFFAOYSA-N
XLogP-0.39
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
(2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexyl]pyrrolidine-2-carboxylic acid
CID 150619819
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
(2R)-1-(2-piperazin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 78922997
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 22717280) is 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1CC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FAMAAFYRRBBFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-10(14-6-2-4-9(14)12(18)19)7-13-5-1-3-8(13)11(16)17/h8-9H,1-7H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22717280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).