3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid

C11H22N2O5 — CID 103159129

IUPAC3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
SMILESCOCCCCNC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C11H22N2O5/c1-17-6-4-3-5-12-11(16)13-8-9(18-2)7-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyDTVJUFNIAZGYTI-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.20
Rot. Bonds10

About 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid

3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid (PubChem CID 103159129) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
PubChem CID103159129
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
SMILESCOCCCCNC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C11H22N2O5/c1-17-6-4-3-5-12-11(16)13-8-9(18-2)7-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16)
InChIKeyDTVJUFNIAZGYTI-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

3-methoxy-4-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004522
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686
4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid
CID 103159975
3-methoxy-4-(5-methylsulfanylpentylcarbamoylamino)butanoic acid
CID 114128544
4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid
CID 103159167
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
CID 114144824
(2S)-2-hydroxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 107839392
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
4-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-3-methoxybutanoic acid
CID 103159154
3-methoxy-4-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 103159909
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid (CID 103159129) is 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid is COCCCCNC(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid?
The InChIKey is DTVJUFNIAZGYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-17-6-4-3-5-12-11(16)13-8-9(18-2)7-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid?
3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic 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 3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid is sourced from PubChem (CID 103159129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).