2-[2-(2-methoxybutanoylamino)phenyl]acetic acid

C13H17NO4 — CID 119353171

IUPAC2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
SMILESCCC(OC)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H17NO4/c1-3-11(18-2)13(17)14-10-7-5-4-6-9(10)8-12(15)16/h4-7,11H,3,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyPSCOBQBOSLTYDS-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.68
Rot. Bonds6

About 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid

2-[2-(2-methoxybutanoylamino)phenyl]acetic acid (PubChem CID 119353171) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
PubChem CID119353171
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[2-(2-methoxybutanoylamino)phenyl]acetic acid
SMILESCCC(OC)C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C13H17NO4/c1-3-11(18-2)13(17)14-10-7-5-4-6-9(10)8-12(15)16/h4-7,11H,3,8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyPSCOBQBOSLTYDS-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
2-[2-(2-butoxypropanoylamino)phenyl]acetic acid
CID 119218365
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[2-(3-methoxypropanoylamino)phenyl]acetic acid
CID 55091248
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
2-[2-[3-(4-methoxyphenyl)pentanoylamino]phenyl]acetic acid
CID 120686853
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
CID 119367809
(2S)-N-(2-fluorophenyl)-2-phenoxybutanamide
CID 966418
(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-methoxy-N-phenylpentanamide
CID 70193042

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid (CID 119353171) is 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid is CCC(OC)C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid?
The InChIKey is PSCOBQBOSLTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-11(18-2)13(17)14-10-7-5-4-6-9(10)8-12(15)16/h4-7,11H,3,8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid?
2-[2-(2-methoxybutanoylamino)phenyl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxybutanoylamino)phenyl]acetic acid is sourced from PubChem (CID 119353171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).