4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid

C13H23N3O5 — CID 115356702

IUPAC4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCC(=O)NC(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-13(2,3)15-10(17)5-14-12(20)16(4)9-7-21-6-8(9)11(18)19/h8-9H,5-7H2,1-4H3,(H,14,20)(H,15,17)(H,18,19)
InChIKeyCTWFMTMYQHWBQZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.36
Rot. Bonds4

About 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid

4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 115356702) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID115356702
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCC(=O)NC(C)(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-13(2,3)15-10(17)5-14-12(20)16(4)9-7-21-6-8(9)11(18)19/h8-9H,5-7H2,1-4H3,(H,14,20)(H,15,17)(H,18,19)
InChIKeyCTWFMTMYQHWBQZ-UHFFFAOYSA-N
XLogP-0.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[2-bicyclo[2.2.1]heptanylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66267125

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid (CID 115356702) is 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid is CN(C(=O)NCC(=O)NC(C)(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is CTWFMTMYQHWBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-13(2,3)15-10(17)5-14-12(20)16(4)9-7-21-6-8(9)11(18)19/h8-9H,5-7H2,1-4H3,(H,14,20)(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115356702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).