(2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid

C10H16NO3+ — CID 18397101

IUPAC(2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid
SMILESC=C(C)C(=O)[N+]1(C(=O)O)CCC[C@H]1C
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11(10(13)14)6-4-5-8(11)3/h8H,1,4-6H2,2-3H3/p+1/t8-,11?/m1/s1
InChIKeyPVICYYADJKCQQS-RZZZFEHKSA-O
MW198.24 g/mol
LogP1.77
Rot. Bonds1

About (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid

(2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid (PubChem CID 18397101) has the molecular formula C10H16NO3+ and a molecular weight of 198.24 g/mol. Its IUPAC name is (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid
PubChem CID18397101
Molecular FormulaC10H16NO3+
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name(2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid
SMILESC=C(C)C(=O)[N+]1(C(=O)O)CCC[C@H]1C
InChIInChI=1S/C10H15NO3/c1-7(2)9(12)11(10(13)14)6-4-5-8(11)3/h8H,1,4-6H2,2-3H3/p+1/t8-,11?/m1/s1
InChIKeyPVICYYADJKCQQS-RZZZFEHKSA-O
XLogP1.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid?
The IUPAC name of (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid (CID 18397101) is (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid.
What is the SMILES notation for (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid?
The canonical SMILES for (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid is C=C(C)C(=O)[N+]1(C(=O)O)CCC[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid?
The InChIKey is PVICYYADJKCQQS-RZZZFEHKSA-O. The full InChI is InChI=1S/C10H15NO3/c1-7(2)9(12)11(10(13)14)6-4-5-8(11)3/h8H,1,4-6H2,2-3H3/p+1/t8-,11?/m1/s1.
What are the key properties of (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid?
(2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid has a molecular weight of 198.24 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(2-methylprop-2-enoyl)pyrrolidin-1-ium-1-carboxylic acid is sourced from PubChem (CID 18397101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).