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

C15H28N2O2 — CID 114086373

IUPAC(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCC(N2C[C@@H](C)[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-11(2)8-16-6-4-13(5-7-16)17-9-12(3)14(10-17)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)/t12-,14-/m1/s1
InChIKeyJEDLPXIQSYAWRM-TZMCWYRMSA-N
MW268.40 g/mol
LogP1.76
Rot. Bonds4

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

(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid (PubChem CID 114086373) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
PubChem CID114086373
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCC(N2C[C@@H](C)[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-11(2)8-16-6-4-13(5-7-16)17-9-12(3)14(10-17)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)/t12-,14-/m1/s1
InChIKeyJEDLPXIQSYAWRM-TZMCWYRMSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 114079464
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
4-methyl-1-(1-methylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65073020
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65065747
4-methyl-1-[3-(2-methylpropyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107430438
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
CID 83846866
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
CID 95111576
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid (CID 114086373) is (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid is CC(C)CN1CCC(N2C[C@@H](C)[C@H](C(=O)O)C2)CC1.
What is the InChIKey of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is JEDLPXIQSYAWRM-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)8-16-6-4-13(5-7-16)17-9-12(3)14(10-17)15(18)19/h11-14H,4-10H2,1-3H3,(H,18,19)/t12-,14-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114086373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).