2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid

C10H20N2O5 — CID 106110012

IUPAC2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
SMILESCOCCCCNC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-6-4-3-5-11-10(15)12-7-8(17-2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyBYFCTOFOTGRQME-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.19
Rot. Bonds9

About 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid

2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid (PubChem CID 106110012) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
PubChem CID106110012
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
SMILESCOCCCCNC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H20N2O5/c1-16-6-4-3-5-11-10(15)12-7-8(17-2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyBYFCTOFOTGRQME-UHFFFAOYSA-N
XLogP-0.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.19
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-(5-methoxypentylcarbamoylamino)propanoic acid
CID 114144824
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
(2R)-2-(4-methoxybutylcarbamoylamino)-3-methylbutanoic acid
CID 79009826
5-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
CID 104686069
2-methoxy-3-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 106110258

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid (CID 106110012) is 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid is COCCCCNC(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid?
The InChIKey is BYFCTOFOTGRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-16-6-4-3-5-11-10(15)12-7-8(17-2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid?
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106110012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).