1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

C12H21N3O4 — CID 104598869

IUPAC1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCNC(=O)NC(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-13-11(19)14-9(16)8-15-7-5-4-6-12(15,2)10(17)18/h3-8H2,1-2H3,(H,17,18)(H2,13,14,16,19)
InChIKeyBVXHEUHXDGYPNV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds4

About 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598869) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104598869
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
SMILESCCNC(=O)NC(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-13-11(19)14-9(16)8-15-7-5-4-6-12(15,2)10(17)18/h3-8H2,1-2H3,(H,17,18)(H2,13,14,16,19)
InChIKeyBVXHEUHXDGYPNV-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598906
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140609
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064525
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)acetamide
CID 124744214
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598886
N-(ethylcarbamoyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583077
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid (CID 104598869) is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is CCNC(=O)NC(=O)CN1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is BVXHEUHXDGYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-13-11(19)14-9(16)8-15-7-5-4-6-12(15,2)10(17)18/h3-8H2,1-2H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid?
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).