2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid

C11H22N2O5 — CID 55004090

IUPAC2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C(=O)NC(C)C(=O)O)C(C)COC
InChIInChI=1S/C11H22N2O5/c1-8(7-18-4)13(5-6-17-3)11(16)12-9(2)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeySALHNQSHYVEBIY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.15
Rot. Bonds8

About 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid

2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 55004090) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID55004090
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C(=O)NC(C)C(=O)O)C(C)COC
InChIInChI=1S/C11H22N2O5/c1-8(7-18-4)13(5-6-17-3)11(16)12-9(2)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeySALHNQSHYVEBIY-UHFFFAOYSA-N
XLogP0.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62965265
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
3-[ethyl-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852306

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid (CID 55004090) is 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid is COCCN(C(=O)NC(C)C(=O)O)C(C)COC.
What is the InChIKey of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is SALHNQSHYVEBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-8(7-18-4)13(5-6-17-3)11(16)12-9(2)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid?
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55004090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).