2-(3-butan-2-yloxyanilino)acetic acid

C12H17NO3 — CID 62328764

IUPAC2-(3-butan-2-yloxyanilino)acetic acid
SMILESCCC(C)Oc1cccc(NCC(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-5-10(7-11)13-8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyZMKHKSIRDDHJGK-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.36
Rot. Bonds6

About 2-(3-butan-2-yloxyanilino)acetic acid

2-(3-butan-2-yloxyanilino)acetic acid (PubChem CID 62328764) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)acetic acid.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)acetic acid
PubChem CID62328764
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3-butan-2-yloxyanilino)acetic acid
SMILESCCC(C)Oc1cccc(NCC(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-5-10(7-11)13-8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15)
InChIKeyZMKHKSIRDDHJGK-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
CID 54829924
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)acetic acid?
The IUPAC name of 2-(3-butan-2-yloxyanilino)acetic acid (CID 62328764) is 2-(3-butan-2-yloxyanilino)acetic acid.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)acetic acid?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)acetic acid is CCC(C)Oc1cccc(NCC(=O)O)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)acetic acid?
The InChIKey is ZMKHKSIRDDHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-9(2)16-11-6-4-5-10(7-11)13-8-12(14)15/h4-7,9,13H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-butan-2-yloxyanilino)acetic acid?
2-(3-butan-2-yloxyanilino)acetic acid has a molecular weight of 223.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)acetic acid is sourced from PubChem (CID 62328764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).