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

C14H28N2O5 — CID 62820097

IUPAC2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CCCOC)CCOC)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O5/c1-6-16(14(2,3)12(17)18)13(19)15(9-11-21-5)8-7-10-20-4/h6-11H2,1-5H3,(H,17,18)
InChIKeyUXLFZZIAPQRFJI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.28
Rot. Bonds10

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

2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62820097) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62820097
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Name2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CCCOC)CCOC)C(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O5/c1-6-16(14(2,3)12(17)18)13(19)15(9-11-21-5)8-7-10-20-4/h6-11H2,1-5H3,(H,17,18)
InChIKeyUXLFZZIAPQRFJI-UHFFFAOYSA-N
XLogP1.28
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62820097) is 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(CCCOC)CCOC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is UXLFZZIAPQRFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-6-16(14(2,3)12(17)18)13(19)15(9-11-21-5)8-7-10-20-4/h6-11H2,1-5H3,(H,17,18).
What are the key properties of 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).