3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid

C11H21NO7 — CID 122451526

IUPAC3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid
SMILESCCC(COC(=O)NCCC(=O)O)OC(CO)OC
InChIInChI=1S/C11H21NO7/c1-3-8(19-10(6-13)17-2)7-18-11(16)12-5-4-9(14)15/h8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyPGPPVAHIDCWURF-UHFFFAOYSA-N
MW279.29 g/mol
LogP-0.05
Rot. Bonds10

About 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid

3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid (PubChem CID 122451526) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid
PubChem CID122451526
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid
SMILESCCC(COC(=O)NCCC(=O)O)OC(CO)OC
InChIInChI=1S/C11H21NO7/c1-3-8(19-10(6-13)17-2)7-18-11(16)12-5-4-9(14)15/h8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyPGPPVAHIDCWURF-UHFFFAOYSA-N
XLogP-0.05
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-(3-oxobutyl)carbamate
CID 90360417
4-[2-[2-hydroxy-1-[2-[2-hydroxy-1-[3-hydroxy-2-(2-hydroxy-1-methoxyethoxy)propoxy]ethoxy]-3-[4-[(2-methoxy-2-oxoethyl)amino]-4-oxobutanoyl]oxypropoxy]ethoxy]butoxy]-4-oxobutanoic acid
CID 59456660
4-[(2R)-2-(1-hydroxybutan-2-yloxy)-2-[3-hydroxy-2-[(1R)-2-hydroxy-1-methoxyethoxy]propoxy]ethoxy]-4-oxobutanoic acid
CID 59456681
3-(2,3-dihydroxypropoxycarbonylamino)propanoic acid
CID 155479234
5-[(2S)-2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid
CID 130455562
3-[[2-(1-amino-2-hydroxyethoxy)-2-[(2-methylpropan-2-yl)oxy]ethoxy]carbonylamino]propanoic acid
CID 139375918
3-[[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]carbonylamino]propanoic acid;5-[2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid;[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-[3-[2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]ethylamino]but-3-enyl]carbamate;bis(2-(2-hydroxy-1-methoxyethoxy)butan-1-ol);methane
CID 158417192
ethane;1-(1-hydroxy-4,4-dimethylpentan-2-yl)oxyethane-1,2-diol;3-[[2-(1-hydroxy-4,4-dimethylpentan-2-yl)oxy-2-[(2-methylpropan-2-yl)oxy]ethoxy]carbonylamino]propanoic acid;2-methylpropane
CID 144829391
ethane;3-(methoxycarbonylamino)propanoic acid
CID 145468285
fluorophosphane;4-[3-[2-hydroxy-1-[1-hydroxy-3-(2-hydroxy-1-methoxyethoxy)propan-2-yl]oxyethoxy]-2-[2-hydroxy-1-(3-hydroxy-2-methylpropoxy)ethoxy]propoxy]-4-oxobutanoic acid
CID 90989384
N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]-8-(1-hydroxybutan-2-yloxy)-8-methoxy-5-oxooctanamide;2-(2-hydroxy-1-methoxyethoxy)butan-1-ol;5-[2-(2-hydroxy-1-methoxyethoxy)butoxy]-5-oxopentanoic acid
CID 158638032
2-(2-hydroxy-1-methoxyethoxy)butyl 5-[2-(2,5-dioxopyrrolidin-3-yl)sulfanylethylamino]-5-oxopentanoate
CID 118680761

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid?
The IUPAC name of 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid (CID 122451526) is 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid.
What is the SMILES notation for 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid?
The canonical SMILES for 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid is CCC(COC(=O)NCCC(=O)O)OC(CO)OC.
What is the InChIKey of 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid?
The InChIKey is PGPPVAHIDCWURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO7/c1-3-8(19-10(6-13)17-2)7-18-11(16)12-5-4-9(14)15/h8,10,13H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid?
3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid has a molecular weight of 279.29 g/mol, XLogP of -0.05, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxy-1-methoxyethoxy)butoxycarbonylamino]propanoic acid is sourced from PubChem (CID 122451526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).