2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid

C11H22N2O5 — CID 114144824

IUPAC2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
SMILESCOCCCCCNC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-17-7-5-3-4-6-12-11(16)13-8-9(18-2)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyXBMZJPLSNWKZAX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.20
Rot. Bonds10

About 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid

2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid (PubChem CID 114144824) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
PubChem CID114144824
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
SMILESCOCCCCCNC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-17-7-5-3-4-6-12-11(16)13-8-9(18-2)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyXBMZJPLSNWKZAX-UHFFFAOYSA-N
XLogP0.20
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid
CID 106239007
(2S)-2-hydroxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 107839392
3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
CID 103159129
2-methoxy-3-(3-sulfamoylpropylcarbamoylamino)propanoic acid
CID 106110030
2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106110715
(2S)-2-hydroxy-3-[4-(2-methoxyethoxy)butylcarbamoylamino]propanoic acid
CID 107841009
2-methoxy-3-(2-methylsulfinylethylcarbamoylamino)propanoic acid
CID 106110510
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
(2R)-2-(5-methoxypentylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 114131664
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid (CID 114144824) is 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid is COCCCCCNC(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid?
The InChIKey is XBMZJPLSNWKZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-17-7-5-3-4-6-12-11(16)13-8-9(18-2)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid?
2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.20, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114144824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).