2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid

C12H15NO5 — CID 112640150

IUPAC2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid
SMILESCOC(C)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C12H15NO5/c1-8(17-2)12(16)13-9-3-5-10(6-4-9)18-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyFHNOBSUCPCUTIH-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.12
Rot. Bonds6

About 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid

2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid (PubChem CID 112640150) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid
PubChem CID112640150
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid
SMILESCOC(C)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C12H15NO5/c1-8(17-2)12(16)13-9-3-5-10(6-4-9)18-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyFHNOBSUCPCUTIH-UHFFFAOYSA-N
XLogP1.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methoxypropanoylamino)phenoxy]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-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
2-[4-[2-(methylamino)propanoylamino]phenoxy]acetic acid
CID 63745547
2-[4-(propan-2-yloxycarbonylamino)phenoxy]acetic acid
CID 63772697
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-methoxy-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 75835932
N-[4-(carbamoylamino)phenyl]-2-methoxypropanamide
CID 47311851
methyl 2-[4-[[(2R)-2-aminopropanoyl]amino]phenoxy]acetate;hydrochloride
CID 119283548
3-amino-4-[4-(2-methoxy-2-oxoethoxy)anilino]-4-oxobutanoic acid
CID 64895687
2-[4-[[2-(ethylamino)acetyl]amino]phenoxy]acetic acid
CID 63745882
methyl 2-[4-[[(2R)-2-amino-3-methylbutanoyl]amino]phenoxy]acetate
CID 79011577
methyl 2-[4-[(3-chloro-2-methylpropanoyl)amino]phenoxy]acetate
CID 62729425
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid (CID 112640150) is 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid is COC(C)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid?
The InChIKey is FHNOBSUCPCUTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8(17-2)12(16)13-9-3-5-10(6-4-9)18-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid?
2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid has a molecular weight of 253.25 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 112640150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).