4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid

C15H26N2O4 — CID 114430456

IUPAC4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NCC2(C)CCCO2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-5-7-17(12(9-11)13(18)19)14(20)16-10-15(2)6-4-8-21-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMTAPXCXMSJGXOA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds4

About 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid

4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 114430456) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID114430456
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)NCC2(C)CCCO2)C(C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-3-11-5-7-17(12(9-11)13(18)19)14(20)16-10-15(2)6-4-8-21-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMTAPXCXMSJGXOA-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114430536
4-ethyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114430208
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-[(3-methylcyclobutyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430520
4-ethyl-1-(2-methylsulfonylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114430229
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528
cis-(1R,3S)-3-[(2-methyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173028
1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 106346727
1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430249
2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782237

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid (CID 114430456) is 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)NCC2(C)CCCO2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is MTAPXCXMSJGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-11-5-7-17(12(9-11)13(18)19)14(20)16-10-15(2)6-4-8-21-15/h11-12H,3-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid?
4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2-methyloxolan-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114430456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).