3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid

C12H24N2O5 — CID 54990210

IUPAC3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid
SMILESCOCCCN(CCOC)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(9-11(15)16)13-12(17)14(6-8-19-3)5-4-7-18-2/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRDSNZZOBJIADRZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.54
Rot. Bonds10

About 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid

3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid (PubChem CID 54990210) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid
PubChem CID54990210
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid
SMILESCOCCCN(CCOC)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H24N2O5/c1-10(9-11(15)16)13-12(17)14(6-8-19-3)5-4-7-18-2/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyRDSNZZOBJIADRZ-UHFFFAOYSA-N
XLogP0.54
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid (CID 54990210) is 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid is COCCCN(CCOC)C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid?
The InChIKey is RDSNZZOBJIADRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-10(9-11(15)16)13-12(17)14(6-8-19-3)5-4-7-18-2/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid?
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 54990210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).