4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid

C10H18N2O5 — CID 114145124

IUPAC4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOC(CN)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-12(9(13)8(3-11)16-2)7-5-17-4-6(7)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyFLCAMBTVRKODIO-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.48
Rot. Bonds5

About 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid

4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 114145124) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID114145124
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOC(CN)C(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-12(9(13)8(3-11)16-2)7-5-17-4-6(7)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKeyFLCAMBTVRKODIO-UHFFFAOYSA-N
XLogP-1.48
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-cyclopropylpropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 83146395
4-[[(2R)-2-aminopentanoyl]-methylamino]oxolane-3-carboxylic acid
CID 107570009
4-[(2-amino-2-ethylbutanoyl)-methylamino]oxolane-3-carboxylic acid
CID 79814802
3-amino-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylpropanamide
CID 106114022
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[[2-(aminomethyl)-2-ethylbutanoyl]-methylamino]oxolane-3-carboxylic acid
CID 115432637
4-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]oxolane-3-carboxylic acid
CID 66236427
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267114
4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66238179
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid (CID 114145124) is 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid is COC(CN)C(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is FLCAMBTVRKODIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-12(9(13)8(3-11)16-2)7-5-17-4-6(7)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid?
4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methoxypropanoyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114145124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).