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

C12H24N2O4 — CID 55000747

IUPAC3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)N(CCOC)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-10(3)14(6-7-18-4)12(17)13-9(2)8-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyLZSWAWQEFHFRLU-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds8

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

3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 55000747) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid
PubChem CID55000747
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid
SMILESCCC(C)N(CCOC)C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-10(3)14(6-7-18-4)12(17)13-9(2)8-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyLZSWAWQEFHFRLU-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid (CID 55000747) is 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid is CCC(C)N(CCOC)C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is LZSWAWQEFHFRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-10(3)14(6-7-18-4)12(17)13-9(2)8-11(15)16/h9-10H,5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid?
3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 55000747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).