4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid

C14H25N3O4 — CID 114430208

IUPAC4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NCC(=O)NC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-4-10-5-6-17(11(7-10)13(19)20)14(21)15-8-12(18)16-9(2)3/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyBEWZKFFODIFLKO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds5

About 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430208) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID114430208
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NCC(=O)NC(C)C)C(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-4-10-5-6-17(11(7-10)13(19)20)14(21)15-8-12(18)16-9(2)3/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyBEWZKFFODIFLKO-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430556
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528
4-hydroxy-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 61200998
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
1-(cyclopropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427375
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430337
4-ethyl-1-(4-methylsulfinylbutan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 114430547
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
4-ethyl-1-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
4-ethyl-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidine-2-carboxylic acid
CID 114430684

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid (CID 114430208) is 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)NCC(=O)NC(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is BEWZKFFODIFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-10-5-6-17(11(7-10)13(19)20)14(21)15-8-12(18)16-9(2)3/h9-11H,4-8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).