5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid

C13H22N2O5 — CID 102688909

IUPAC5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)O1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O5/c1-7(10(16)15-13(2,3)4)14-11(17)8-5-6-9(20-8)12(18)19/h7-9H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyDWQLTRVLAURVQS-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.04
Rot. Bonds4

About 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid

5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688909) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688909
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)O1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O5/c1-7(10(16)15-13(2,3)4)14-11(17)8-5-6-9(20-8)12(18)19/h7-9H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyDWQLTRVLAURVQS-UHFFFAOYSA-N
XLogP0.04
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945642
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
(2R,5S)-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945643
5-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103262784
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid (CID 102688909) is 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)O1)C(=O)NC(C)(C)C.
What is the InChIKey of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is DWQLTRVLAURVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-7(10(16)15-13(2,3)4)14-11(17)8-5-6-9(20-8)12(18)19/h7-9H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).