2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid

C16H23NO4 — CID 119172411

IUPAC2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C16H23NO4/c1-11(15(20)17(5)10-14(18)19)21-13-8-6-7-12(9-13)16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,19)
InChIKeyATQDPQLXBWBHMX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid

2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid (PubChem CID 119172411) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
PubChem CID119172411
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C16H23NO4/c1-11(15(20)17(5)10-14(18)19)21-13-8-6-7-12(9-13)16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,19)
InChIKeyATQDPQLXBWBHMX-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-difluorophenoxy)propanoyl-methylamino]acetic acid
CID 119171905
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
(2S)-2-(3-acetylphenoxy)-N-(2-amino-2-oxoethyl)-N-methylpropanamide
CID 95040633
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3-cyanophenoxy)-N-methylpropanamide
CID 86921453
2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398210
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
N-(3-amino-2-methylpropyl)-2-(3-tert-butylphenoxy)propanamide;hydrochloride
CID 119995526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid (CID 119172411) is 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid is CC(Oc1cccc(C(C)(C)C)c1)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid?
The InChIKey is ATQDPQLXBWBHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(15(20)17(5)10-14(18)19)21-13-8-6-7-12(9-13)16(2,3)4/h6-9,11H,10H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid?
2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butylphenoxy)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 119172411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).