(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid

C12H19NO3 — CID 122115293

IUPAC(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CC1CC1
InChIInChI=1S/C12H19NO3/c1-8-10(12(15)16)3-2-6-13(8)11(14)7-9-4-5-9/h8-10H,2-7H2,1H3,(H,15,16)/t8-,10-/m1/s1
InChIKeyPLEQHIMHNNKNAJ-PSASIEDQSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds3

About (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid (PubChem CID 122115293) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
PubChem CID122115293
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CC1CC1
InChIInChI=1S/C12H19NO3/c1-8-10(12(15)16)3-2-6-13(8)11(14)7-9-4-5-9/h8-10H,2-7H2,1H3,(H,15,16)/t8-,10-/m1/s1
InChIKeyPLEQHIMHNNKNAJ-PSASIEDQSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-methyl-1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 122115737
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908
(2R,3R)-2-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]piperidine-3-carboxylic acid
CID 122115861
(2S,3S)-2-methyl-1-(3-methylbutanoyl)piperidine-3-carboxylic acid
CID 122114574
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 79370825
(2R,3S)-2-methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 175654063
2-methyl-1-prop-2-enoylpiperidine-3-carboxylic acid
CID 130979256
(2S,3S)-2-methyl-1-[methyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122104890
(2S,3S)-1-(2-butan-2-yloxyacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122116867
(2R,3R)-2-methyl-1-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 122114993
(2S,3S)-2-methyl-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 122115222

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid (CID 122115293) is (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CC1CC1.
What is the InChIKey of (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid?
The InChIKey is PLEQHIMHNNKNAJ-PSASIEDQSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-10(12(15)16)3-2-6-13(8)11(14)7-9-4-5-9/h8-10H,2-7H2,1H3,(H,15,16)/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122115293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).