4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid

C12H24N2O5 — CID 103159167

IUPAC4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid
SMILESCCCCOCCNC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C12H24N2O5/c1-3-4-6-19-7-5-13-12(17)14-9-10(18-2)8-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYGGODHPVWNYPLJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.59
Rot. Bonds11

About 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid

4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid (PubChem CID 103159167) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid
PubChem CID103159167
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid
SMILESCCCCOCCNC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C12H24N2O5/c1-3-4-6-19-7-5-13-12(17)14-9-10(18-2)8-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyYGGODHPVWNYPLJ-UHFFFAOYSA-N
XLogP0.59
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.59
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

4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid
CID 103159975
3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
CID 103159129
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686
3-methoxy-4-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004522
3-methoxy-4-(5-methylsulfanylpentylcarbamoylamino)butanoic acid
CID 114128544
4-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-3-methoxybutanoic acid
CID 103159154
3-methoxy-4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 103158580
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
4-[[(2S)-2-aminohexanoyl]amino]-3-methoxybutanoic acid
CID 107146780
4-(2-aminohexanoylamino)-3-methoxybutanoic acid
CID 103157210

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid (CID 103159167) is 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid is CCCCOCCNC(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid?
The InChIKey is YGGODHPVWNYPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-3-4-6-19-7-5-13-12(17)14-9-10(18-2)8-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid?
4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.59, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).