(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid

C13H18N2O4 — CID 66264676

IUPAC(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1noc(C)c1CC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-10(9(2)19-14-8)7-12(16)15-6-4-3-5-11(15)13(17)18/h11H,3-7H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyIRFYZJHKNAWOLQ-NSHDSACASA-N
MW266.30 g/mol
LogP1.30
Rot. Bonds3

About (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 66264676) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID66264676
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1noc(C)c1CC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-10(9(2)19-14-8)7-12(16)15-6-4-3-5-11(15)13(17)18/h11H,3-7H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyIRFYZJHKNAWOLQ-NSHDSACASA-N
XLogP1.30
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2S)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-2-carboxylic acid
CID 129398255
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
1-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 95111667
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 78996821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430390
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53191931
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119597065
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 91919998
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95126946
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61137558
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110675

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid (CID 66264676) is (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid is Cc1noc(C)c1CC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is IRFYZJHKNAWOLQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-10(9(2)19-14-8)7-12(16)15-6-4-3-5-11(15)13(17)18/h11H,3-7H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).