3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid

C10H18N2O6 — CID 103158193

IUPAC3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
SMILESCOC(=O)CN(C)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C10H18N2O6/c1-12(6-9(15)18-3)10(16)11-5-7(17-2)4-8(13)14/h7H,4-6H2,1-3H3,(H,11,16)(H,13,14)
InChIKeyQMNNXGUMWKAKHX-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.71
Rot. Bonds7

About 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid

3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid (PubChem CID 103158193) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
PubChem CID103158193
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
SMILESCOC(=O)CN(C)C(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C10H18N2O6/c1-12(6-9(15)18-3)10(16)11-5-7(17-2)4-8(13)14/h7H,4-6H2,1-3H3,(H,11,16)(H,13,14)
InChIKeyQMNNXGUMWKAKHX-UHFFFAOYSA-N
XLogP-0.71
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid with MolForge

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Related Compounds

4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103158593
3-methoxy-4-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]butanoic acid
CID 103158829
3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81072974
4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159424
4-[[2,2-difluoroethyl(methyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160013
3-methoxy-4-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 103159562
3-methoxy-4-[[methyl(phenyl)carbamoyl]amino]butanoic acid
CID 103158245
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774
(3R)-3,5-dimethoxy-5-oxopentanoic acid
CID 14895219
3-methoxy-4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 103158614

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid (CID 103158193) is 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid is COC(=O)CN(C)C(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
The InChIKey is QMNNXGUMWKAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-12(6-9(15)18-3)10(16)11-5-7(17-2)4-8(13)14/h7H,4-6H2,1-3H3,(H,11,16)(H,13,14).
What are the key properties of 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid?
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 103158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).