2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid

C19H21NO5 — CID 119196968

IUPAC2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
SMILESCOc1ccc(OC(C)C(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-14(25-17-10-8-16(24-2)9-11-17)19(23)20(13-18(21)22)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyPEIUDSORYWNJAA-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.58
Rot. Bonds8

About 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid

2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid (PubChem CID 119196968) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
PubChem CID119196968
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
SMILESCOc1ccc(OC(C)C(=O)N(CC(=O)O)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c1-14(25-17-10-8-16(24-2)9-11-17)19(23)20(13-18(21)22)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyPEIUDSORYWNJAA-UHFFFAOYSA-N
XLogP2.58
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]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

(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
CID 43888170
methyl 2-[ethyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetate
CID 61383641
N-benzyl-N-ethyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133228152
ethyl 3-[benzyl-[2-(4-phenylphenoxy)propanoyl]amino]propanoate
CID 43910693
2-[(2-amino-4-methylpentanoyl)-benzylamino]acetic acid
CID 70469466
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
(2S)-2-(4-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 42093583
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 31883866
[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 18274566
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid (CID 119196968) is 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid is COc1ccc(OC(C)C(=O)N(CC(=O)O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid?
The InChIKey is PEIUDSORYWNJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-14(25-17-10-8-16(24-2)9-11-17)19(23)20(13-18(21)22)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid?
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid is sourced from PubChem (CID 119196968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).