2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid

C8H11NO5 — CID 69059915

IUPAC2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)CC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKeyKAJGZYGIFFYFLS-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.17
Rot. Bonds3

About 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid

2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid (PubChem CID 69059915) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
PubChem CID69059915
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)CC(=O)C1CCCN1C(=O)O
InChIInChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14)
InChIKeyKAJGZYGIFFYFLS-UHFFFAOYSA-N
XLogP0.17
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxobutanoyl)pyrrolidine-1-carboxylic acid
CID 68812261
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
CID 126526083
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
CID 54289954
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
(2S)-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylic acid
CID 173144791
(2S)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 45259039
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 121437087

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid (CID 69059915) is 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid is O=C(O)CC(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KAJGZYGIFFYFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid?
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid has a molecular weight of 201.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69059915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).