3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid

C11H20N2O5 — CID 81085795

IUPAC3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
SMILESCOCC(NC(=O)NCC1CCCOC1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-17-7-9(10(14)15)13-11(16)12-5-8-3-2-4-18-6-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRMGJVGDJAZXSIQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.19
Rot. Bonds6

About 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid

3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid (PubChem CID 81085795) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
PubChem CID81085795
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid
SMILESCOCC(NC(=O)NCC1CCCOC1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-17-7-9(10(14)15)13-11(16)12-5-8-3-2-4-18-6-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyRMGJVGDJAZXSIQ-UHFFFAOYSA-N
XLogP-0.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 62823323
3-methoxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 81084966
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
CID 62473603
(2R)-4-amino-4-oxo-2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 107827583
(2S)-2-(cyclobutylmethylcarbamoylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 112737539
2-(oxan-4-ylmethylcarbamoylamino)butanoic acid
CID 63708074
2-amino-5-methoxy-N-(oxan-3-ylmethyl)pentanamide
CID 81088387
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid (CID 81085795) is 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid is COCC(NC(=O)NCC1CCCOC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is RMGJVGDJAZXSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-17-7-9(10(14)15)13-11(16)12-5-8-3-2-4-18-6-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid?
3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(oxan-3-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 81085795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).