3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C13H22N2O5 — CID 64892855

IUPAC3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCCCO1)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H22N2O5/c1-15(8-10-4-2-3-6-20-10)12(18)14-13(11(16)17)5-7-19-9-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyUSCZHIHLFUQOGI-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.44
Rot. Bonds4

About 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64892855) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64892855
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(CC1CCCCO1)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H22N2O5/c1-15(8-10-4-2-3-6-20-10)12(18)14-13(11(16)17)5-7-19-9-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyUSCZHIHLFUQOGI-UHFFFAOYSA-N
XLogP0.44
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(oxan-2-ylmethylcarbamoylamino)pentanoic acid
CID 55013336
3-Hydroxy-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 55013928
2-Methyl-2-[methyl(oxan-2-ylmethylcarbamoyl)amino]propanoic acid
CID 55123563
2-[Ethyl-[2-(oxolan-2-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55123659
2-Methyl-2-(oxan-2-ylmethylcarbamoylamino)butanoic acid
CID 60710145
2-Methyl-2-(oxan-2-ylmethylcarbamoylamino)propanoic acid
CID 60710262
2-Methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 61435784
(2S)-3-methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436131
3-Hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436180
3-Methyl-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436232
(2S)-3-hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61436233
4-Hydroxy-2-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436289

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64892855) is 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CN(CC1CCCCO1)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is USCZHIHLFUQOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-15(8-10-4-2-3-6-20-10)12(18)14-13(11(16)17)5-7-19-9-13/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).