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

C13H18N2O4 — CID 78996821

IUPAC(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1noc(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-8-11(9(2)19-14-8)6-12(16)15-5-3-4-10(7-15)13(17)18/h10H,3-7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyUFDPYQYYCZREJQ-JTQLQIEISA-N
MW266.30 g/mol
LogP1.16
Rot. Bonds3

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

(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 78996821) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID78996821
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1noc(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-8-11(9(2)19-14-8)6-12(16)15-5-3-4-10(7-15)13(17)18/h10H,3-7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyUFDPYQYYCZREJQ-JTQLQIEISA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372864
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]ethanone
CID 74659527
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370
(3S)-1-[2-(3,5-diethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 129381236
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 51075305
(2S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 66264676
3-[(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]benzoic acid
CID 125167184
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124606468
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681238
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000213

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid (CID 78996821) is (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid is Cc1noc(C)c1CC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is UFDPYQYYCZREJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-11(9(2)19-14-8)6-12(16)15-5-3-4-10(7-15)13(17)18/h10H,3-7H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 78996821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).