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

C11H21NO2 — CID 86324356

IUPAC2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
SMILESCC(C)CN1CCC[C@H](CC(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-9(2)7-12-5-3-4-10(8-12)6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyQWQPLFHJYSHPQB-SNVBAGLBSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

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

2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid (PubChem CID 86324356) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
PubChem CID86324356
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
SMILESCC(C)CN1CCC[C@H](CC(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-9(2)7-12-5-3-4-10(8-12)6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKeyQWQPLFHJYSHPQB-SNVBAGLBSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpiperidine-4-carboxylic acid
CID 2736939
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
2-(1-(Tert-butoxycarbonyl)piperidin-3-yl)propanoic acid
CID 53442774
3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
1,3-Dimethylpiperidine-2-carboxylic acid
CID 91188555
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid (CID 86324356) is 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid is CC(C)CN1CCC[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
The InChIKey is QWQPLFHJYSHPQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)7-12-5-3-4-10(8-12)6-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 86324356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).