2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid

C12H23NO2 — CID 79383736

IUPAC2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C12H23NO2/c1-8(2)7-9(3)13-6-5-11(10(13)4)12(14)15/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeySCAITQKBBQKADA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 79383736) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID79383736
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C12H23NO2/c1-8(2)7-9(3)13-6-5-11(10(13)4)12(14)15/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeySCAITQKBBQKADA-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383655
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
1-[1-(dimethylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369265
1-[1-(4-fluorophenyl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382695
1-[1-(4-fluorophenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383647
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 114079464
1-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid (CID 79383736) is 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid is CC(C)CC(C)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is SCAITQKBBQKADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)7-9(3)13-6-5-11(10(13)4)12(14)15/h8-11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).