(2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid

C6H7NO3 — CID 140993084

IUPAC(2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C=C1CCN[C@H]1C(=O)O
InChIInChI=1S/C6H7NO3/c8-3-4-1-2-7-5(4)6(9)10/h5,7H,1-2H2,(H,9,10)/t5-/m1/s1
InChIKeyWITKBKMICVZPHO-RXMQYKEDSA-N
MW141.13 g/mol
LogP-0.81
Rot. Bonds1

About (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid

(2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid (PubChem CID 140993084) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
PubChem CID140993084
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name(2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C=C1CCN[C@H]1C(=O)O
InChIInChI=1S/C6H7NO3/c8-3-4-1-2-7-5(4)6(9)10/h5,7H,1-2H2,(H,9,10)/t5-/m1/s1
InChIKeyWITKBKMICVZPHO-RXMQYKEDSA-N
XLogP-0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methylpropyl)-3-(oxomethylidene)pyrrolidine-2-carboxamide
CID 57021304
ethyl 3-(oxomethylidene)pyrrolidine-2-carboxylate
CID 160845715
(2R)-3-oxopyrrolidine-2-carboxylic acid
CID 66926887
(2S)-3-methylidenepyrrolidine-2-carboxylic acid
CID 67246496
(2S)-3-hydroxyboranylidenepyrrolidine-2-carboxylic acid
CID 67252890
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-4-carboxylic acid
CID 82407973
(2S,4R)-4-hydroxy-3-(oxomethylidene)pyrrolidine-2-carboxylic acid
CID 141140811
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
prop-2-enyl 3-[[3-(oxomethylidene)pyrrolidine-2-carbonyl]amino]benzoate
CID 141095230
3-sulfonylpiperidine-2-carboxylic acid
CID 18613579
(1R)-7-amino-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 130609338
(1R)-7-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 86330126

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid (CID 140993084) is (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid is O=C=C1CCN[C@H]1C(=O)O.
What is the InChIKey of (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
The InChIKey is WITKBKMICVZPHO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7NO3/c8-3-4-1-2-7-5(4)6(9)10/h5,7H,1-2H2,(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid?
(2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(oxomethylidene)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 140993084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).