(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid

C11H14N2O4 — CID 100802472

IUPAC(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCC[C@H](C(=O)O)C2)co1
InChIInChI=1S/C11H14N2O4/c1-7-12-9(6-17-7)10(14)13-4-2-3-8(5-13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyJSVQJYXKCVNBTB-QMMMGPOBSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds2

About (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 100802472) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID100802472
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nc(C(=O)N2CCC[C@H](C(=O)O)C2)co1
InChIInChI=1S/C11H14N2O4/c1-7-12-9(6-17-7)10(14)13-4-2-3-8(5-13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyJSVQJYXKCVNBTB-QMMMGPOBSA-N
XLogP0.92
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95828746
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(3S)-1-(2-chloro-6-methylpyrimidine-4-carbonyl)piperidine-3-carboxylic acid
CID 114219391
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
(3R)-1-(2-propan-2-yl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 99638878
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
(2-methyl-1,3-oxazol-4-yl)-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95810788
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid (CID 100802472) is (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid is Cc1nc(C(=O)N2CCC[C@H](C(=O)O)C2)co1.
What is the InChIKey of (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JSVQJYXKCVNBTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-12-9(6-17-7)10(14)13-4-2-3-8(5-13)11(15)16/h6,8H,2-5H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 100802472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).