2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid

C14H20N2O4 — CID 61194384

IUPAC2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid
SMILESCCC(C)N(C)C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-4-10(2)15(3)14(20)16(9-13(18)19)11-5-7-12(17)8-6-11/h5-8,10,17H,4,9H2,1-3H3,(H,18,19)
InChIKeyHOQQXIMIUZOOEB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.13
Rot. Bonds5

About 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid

2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid (PubChem CID 61194384) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid
PubChem CID61194384
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid
SMILESCCC(C)N(C)C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H20N2O4/c1-4-10(2)15(3)14(20)16(9-13(18)19)11-5-7-12(17)8-6-11/h5-8,10,17H,4,9H2,1-3H3,(H,18,19)
InChIKeyHOQQXIMIUZOOEB-UHFFFAOYSA-N
XLogP2.13
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid (CID 61194384) is 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid is CCC(C)N(C)C(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid?
The InChIKey is HOQQXIMIUZOOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10(2)15(3)14(20)16(9-13(18)19)11-5-7-12(17)8-6-11/h5-8,10,17H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid?
2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid has a molecular weight of 280.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[butan-2-yl(methyl)carbamoyl]-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 61194384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).