3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid

C9H18N2O5 — CID 81086301

IUPAC3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-11(4-5-15-2)9(14)10-7(6-16-3)8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyKQAXWNYKDRYQKC-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.63
Rot. Bonds7

About 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid

3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 81086301) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID81086301
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-11(4-5-15-2)9(14)10-7(6-16-3)8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyKQAXWNYKDRYQKC-UHFFFAOYSA-N
XLogP-0.63
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylheptanoic acid
CID 65289568
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid (CID 81086301) is 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid is COCCN(C)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is KQAXWNYKDRYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-11(4-5-15-2)9(14)10-7(6-16-3)8(12)13/h7H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid?
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 234.25 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 81086301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).