2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid

C12H23NO2 — CID 83821336

IUPAC2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)CCCN(C)C1
InChIInChI=1S/C12H23NO2/c1-10(2)7-12(8-11(14)15)5-4-6-13(3)9-12/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyHDOOPLYMCVYUKO-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid

2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid (PubChem CID 83821336) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
PubChem CID83821336
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid
SMILESCC(C)CC1(CC(=O)O)CCCN(C)C1
InChIInChI=1S/C12H23NO2/c1-10(2)7-12(8-11(14)15)5-4-6-13(3)9-12/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyHDOOPLYMCVYUKO-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-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
2-[3-(hydroxymethyl)-3-(2-methylpropyl)piperidin-1-yl]acetic acid
CID 56718760
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
2-[4-(2-methylpropyl)oxan-4-yl]acetic acid
CID 83819264
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
2-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235035
4,4-difluoro-1-methyl-3-(2-methylpropyl)piperidine-3-carboxylic acid
CID 84797346
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498651
2-(1-methyl-3-propan-2-yloxyazetidin-3-yl)acetic acid
CID 115017262
2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
CID 65498240
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid (CID 83821336) is 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid is CC(C)CC1(CC(=O)O)CCCN(C)C1.
What is the InChIKey of 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid?
The InChIKey is HDOOPLYMCVYUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)7-12(8-11(14)15)5-4-6-13(3)9-12/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid?
2-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic 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-[1-methyl-3-(2-methylpropyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83821336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).