(2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid

C9H13NO3 — CID 11615290

IUPAC(2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid
SMILESC=C(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C9H13NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h7H,1,3-5H2,2H3,(H,12,13)/t7-/m1/s1
InChIKeySJAYUJDJZUWFDO-SSDOTTSWSA-N
MW183.21 g/mol
LogP0.64
Rot. Bonds2

About (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid (PubChem CID 11615290) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid
PubChem CID11615290
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid
SMILESC=C(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C9H13NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h7H,1,3-5H2,2H3,(H,12,13)/t7-/m1/s1
InChIKeySJAYUJDJZUWFDO-SSDOTTSWSA-N
XLogP0.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-Dimethylpropanoyl)pyrrolidine-2-carboxylic acid
CID 2740698
1-Butanoylpyrrolidine-2-carboxylic acid
CID 90941
Isobutyrylproline
CID 15324300
1-Propionylpyrrolidine-2-carboxylic acid
CID 3614637
L-Proline, 1-(2,2-dimethyl-1-oxopropyl)-
CID 760054
(2S)-1-propanoylpyrrolidine-2-carboxylic acid
CID 676544
1-(2-Methylpropanoyl)pyrrolidine-2-carboxylic acid
CID 15324301
CID 72199647
CID 72199647
L-Proline, 1-(1-oxobutyl)-
CID 14332396
1-(2,2-dimethylpropanoyl)-L-proline
CID 760058
Isobutyryl-D-proline
CID 42256403
1-(2-Methylacryloyl)-L-proline
CID 13208349

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid (CID 11615290) is (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid is C=C(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SJAYUJDJZUWFDO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h7H,1,3-5H2,2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11615290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).