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

C14H21N3O4 — CID 114430623

IUPAC4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(=O)Nc2cc(C)no2)C(C(=O)O)C1
InChIInChI=1S/C14H21N3O4/c1-3-10-4-5-17(11(7-10)14(19)20)8-12(18)15-13-6-9(2)16-21-13/h6,10-11H,3-5,7-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyLVDDSBRRLHOVQP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.50
Rot. Bonds5

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

4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 114430623) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID114430623
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(CC(=O)Nc2cc(C)no2)C(C(=O)O)C1
InChIInChI=1S/C14H21N3O4/c1-3-10-4-5-17(11(7-10)14(19)20)8-12(18)15-13-6-9(2)16-21-13/h6,10-11H,3-5,7-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyLVDDSBRRLHOVQP-UHFFFAOYSA-N
XLogP1.50
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915718
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
4-ethyl-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]piperidine-2-carboxylic acid
CID 114431846
4-ethyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidine-2-carboxylic acid
CID 114427464
methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
N-cyclopropyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 86917144
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 114430623) is 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is CCC1CCN(CC(=O)Nc2cc(C)no2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is LVDDSBRRLHOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-10-4-5-17(11(7-10)14(19)20)8-12(18)15-13-6-9(2)16-21-13/h6,10-11H,3-5,7-8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).