4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C13H19N3O4 — CID 114425482

IUPAC4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1cc(CNC(=O)N2CCC(C)CC2C(=O)O)on1
InChIInChI=1S/C13H19N3O4/c1-8-3-4-16(11(5-8)12(17)18)13(19)14-7-10-6-9(2)15-20-10/h6,8,11H,3-5,7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyBEKIAKVFUOIUPM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.38
Rot. Bonds3

About 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425482) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID114425482
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCc1cc(CNC(=O)N2CCC(C)CC2C(=O)O)on1
InChIInChI=1S/C13H19N3O4/c1-8-3-4-16(11(5-8)12(17)18)13(19)14-7-10-6-9(2)15-20-10/h6,8,11H,3-5,7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyBEKIAKVFUOIUPM-UHFFFAOYSA-N
XLogP1.38
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromothiophen-2-yl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425618
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234
(3S,4S)-4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 98542845
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
4-methyl-1-(pyridin-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425193
4-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404318
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781001
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 114425482) is 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid is Cc1cc(CNC(=O)N2CCC(C)CC2C(=O)O)on1.
What is the InChIKey of 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is BEKIAKVFUOIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-3-4-16(11(5-8)12(17)18)13(19)14-7-10-6-9(2)15-20-10/h6,8,11H,3-5,7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).