2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid

C15H28N2O2 — CID 114079464

IUPAC2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCC(N2CCC(C(=O)O)C2C)CC1
InChIInChI=1S/C15H28N2O2/c1-11(2)10-16-7-4-13(5-8-16)17-9-6-14(12(17)3)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyIQTIVUCWRORTGT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid

2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid (PubChem CID 114079464) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
PubChem CID114079464
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCC(N2CCC(C(=O)O)C2C)CC1
InChIInChI=1S/C15H28N2O2/c1-11(2)10-16-7-4-13(5-8-16)17-9-6-14(12(17)3)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)
InChIKeyIQTIVUCWRORTGT-UHFFFAOYSA-N
XLogP1.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
CID 83816133
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 114086373
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383492
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
CID 176724060
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383736
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid (CID 114079464) is 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid is CC(C)CN1CCC(N2CCC(C(=O)O)C2C)CC1.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is IQTIVUCWRORTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)10-16-7-4-13(5-8-16)17-9-6-14(12(17)3)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114079464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).