2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid

C11H17NO3 — CID 96613832

IUPAC2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid
SMILESC[C@@H]1[C@@H](CC(=O)O)CCC(=O)N1C1CC1
InChIInChI=1S/C11H17NO3/c1-7-8(6-11(14)15)2-5-10(13)12(7)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyJZEGQDABHSSKHB-HTQZYQBOSA-N
MW211.26 g/mol
LogP1.25
Rot. Bonds3

About 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid

2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid (PubChem CID 96613832) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid
PubChem CID96613832
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid
SMILESC[C@@H]1[C@@H](CC(=O)O)CCC(=O)N1C1CC1
InChIInChI=1S/C11H17NO3/c1-7-8(6-11(14)15)2-5-10(13)12(7)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyJZEGQDABHSSKHB-HTQZYQBOSA-N
XLogP1.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
CID 115013531
2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
CID 96621427
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
2-[(1S,2R)-2,4-dimethylcyclohex-3-en-1-yl]acetic acid
CID 89187199
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
6-methyl-1-azabicyclo[3.1.0]hexan-2-one
CID 143719689
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
CID 67462914
1-cyclopropyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115013568
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
2-[1-(4-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64747382
2-[(2R,3R)-1-methyl-7-oxo-2-propan-2-ylazepan-3-yl]acetic acid
CID 96602459

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid (CID 96613832) is 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid is C[C@@H]1[C@@H](CC(=O)O)CCC(=O)N1C1CC1.
What is the InChIKey of 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid?
The InChIKey is JZEGQDABHSSKHB-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-8(6-11(14)15)2-5-10(13)12(7)9-3-4-9/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid?
2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-1-cyclopropyl-2-methyl-6-oxopiperidin-3-yl]acetic acid is sourced from PubChem (CID 96613832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).