3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid

C10H20N2O4 — CID 62826800

IUPAC3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(C)CCO)C(C)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(8(2)7-9(14)15)10(16)11(3)5-6-13/h8,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyLNOWOJKLHFTWSL-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.22
Rot. Bonds6

About 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid

3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid (PubChem CID 62826800) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
PubChem CID62826800
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(C)CCO)C(C)CC(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-12(8(2)7-9(14)15)10(16)11(3)5-6-13/h8,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyLNOWOJKLHFTWSL-UHFFFAOYSA-N
XLogP0.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid (CID 62826800) is 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid is CCN(C(=O)N(C)CCO)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
The InChIKey is LNOWOJKLHFTWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-12(8(2)7-9(14)15)10(16)11(3)5-6-13/h8,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid?
3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62826800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).