(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid

C10H16N2O3 — CID 22863391

IUPAC(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=C(C)C(=O)N[C@@]1(C(=O)O)CCCN1C
InChIInChI=1S/C10H16N2O3/c1-7(2)8(13)11-10(9(14)15)5-4-6-12(10)3/h1,4-6H2,2-3H3,(H,11,13)(H,14,15)/t10-/m0/s1
InChIKeyNJNFPERLSWBTNU-JTQLQIEISA-N
MW212.25 g/mol
LogP0.19
Rot. Bonds3

About (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid

(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid (PubChem CID 22863391) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid
PubChem CID22863391
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid
SMILESC=C(C)C(=O)N[C@@]1(C(=O)O)CCCN1C
InChIInChI=1S/C10H16N2O3/c1-7(2)8(13)11-10(9(14)15)5-4-6-12(10)3/h1,4-6H2,2-3H3,(H,11,13)(H,14,15)/t10-/m0/s1
InChIKeyNJNFPERLSWBTNU-JTQLQIEISA-N
XLogP0.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid (CID 22863391) is (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid is C=C(C)C(=O)N[C@@]1(C(=O)O)CCCN1C.
What is the InChIKey of (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid?
The InChIKey is NJNFPERLSWBTNU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)8(13)11-10(9(14)15)5-4-6-12(10)3/h1,4-6H2,2-3H3,(H,11,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid?
(2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-methylprop-2-enoylamino)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22863391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).