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

C12H24N2O5 — CID 81086313

IUPAC3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CC(C)C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)7-14(5-6-18-3)12(17)13-10(8-19-4)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyAUBGDVBVVAQNCR-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.40
Rot. Bonds9

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

3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid (PubChem CID 81086313) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
PubChem CID81086313
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CC(C)C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)7-14(5-6-18-3)12(17)13-10(8-19-4)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyAUBGDVBVVAQNCR-UHFFFAOYSA-N
XLogP0.40
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]-3-methoxypropanoic acid
CID 102995572
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid (CID 81086313) is 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid is COCCN(CC(C)C)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The InChIKey is AUBGDVBVVAQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-9(2)7-14(5-6-18-3)12(17)13-10(8-19-4)11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.40, 9 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(2-methylpropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 81086313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).