(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid

C9H11NO4 — CID 12735682

IUPAC(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESC=C(C)C(=O)N1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C9H11NO4/c1-5(2)8(12)10-6(9(13)14)3-4-7(10)11/h6H,1,3-4H2,2H3,(H,13,14)/t6-/m0/s1
InChIKeyZYOKGXRZPVZCEP-LURJTMIESA-N
MW197.19 g/mol
LogP0.16
Rot. Bonds2

About (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid

(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 12735682) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID12735682
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESC=C(C)C(=O)N1C(=O)CC[C@H]1C(=O)O
InChIInChI=1S/C9H11NO4/c1-5(2)8(12)10-6(9(13)14)3-4-7(10)11/h6H,1,3-4H2,2H3,(H,13,14)/t6-/m0/s1
InChIKeyZYOKGXRZPVZCEP-LURJTMIESA-N
XLogP0.16
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Acetyl-5-oxo-L-proline
CID 12735676
DL-1-Acetyl-5-oxoproline
CID 92539
1-(2-Methylacryloyl)-L-proline
CID 13208349
Seleno-Captopril
CID 137350011
CID 53361959
CID 53361959
(2R)-1-Methacryloylpyrrolidin-2-carboxylic Acid
CID 11615290
L-Proline, 1-[(2E)-1-oxo-2-butenyl]-
CID 12371321
L-Proline, 5-oxo-1-(2-propenyl)-
CID 15121777
5-Oxo-1-(1-oxoallyl)-L-proline
CID 12735680
CID 53361982
CID 53361982
ethyl N-methacryloyl-5-oxo-2-pyrrolidinecarboxylate
CID 11096270
(2S)-1-[(Z)-2-methylbut-2-enoyl]pyrrolidine-2-carboxylic acid
CID 12371318

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid (CID 12735682) is (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid is C=C(C)C(=O)N1C(=O)CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ZYOKGXRZPVZCEP-LURJTMIESA-N. The full InChI is InChI=1S/C9H11NO4/c1-5(2)8(12)10-6(9(13)14)3-4-7(10)11/h6H,1,3-4H2,2H3,(H,13,14)/t6-/m0/s1.
What are the key properties of (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid?
(2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylprop-2-enoyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12735682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).