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

C13H25NO2 — CID 98009847

IUPAC2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
SMILESCC[C@@H]1[C@@H](CC(=O)O)CCCN1CC(C)C
InChIInChI=1S/C13H25NO2/c1-4-12-11(8-13(15)16)6-5-7-14(12)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyHZICZHCDLSPXSH-VXGBXAGGSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

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

2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid (PubChem CID 98009847) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
PubChem CID98009847
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
SMILESCC[C@@H]1[C@@H](CC(=O)O)CCCN1CC(C)C
InChIInChI=1S/C13H25NO2/c1-4-12-11(8-13(15)16)6-5-7-14(12)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyHZICZHCDLSPXSH-VXGBXAGGSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-(1-benzyl-2-ethylpiperidin-3-yl)acetic acid
CID 18928668
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
CID 96612828
(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
2-[2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 83851665
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
CID 96620489
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid (CID 98009847) is 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid is CC[C@@H]1[C@@H](CC(=O)O)CCCN1CC(C)C.
What is the InChIKey of 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
The InChIKey is HZICZHCDLSPXSH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-12-11(8-13(15)16)6-5-7-14(12)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid?
2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 98009847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).