2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid

C14H20ClNO4 — CID 66532195

IUPAC2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid
SMILESCCCOc1cc(Cl)c(CNCC(=O)O)cc1OCC
InChIInChI=1S/C14H20ClNO4/c1-3-5-20-13-7-11(15)10(6-12(13)19-4-2)8-16-9-14(17)18/h6-7,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyAOGDXUNRPVDAIZ-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.70
Rot. Bonds9

About 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid

2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid (PubChem CID 66532195) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid
PubChem CID66532195
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid
SMILESCCCOc1cc(Cl)c(CNCC(=O)O)cc1OCC
InChIInChI=1S/C14H20ClNO4/c1-3-5-20-13-7-11(15)10(6-12(13)19-4-2)8-16-9-14(17)18/h6-7,16H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyAOGDXUNRPVDAIZ-UHFFFAOYSA-N
XLogP2.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)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-[[4-[2-(tert-butylamino)-2-oxoethoxy]-2-chloro-5-ethoxyphenyl]methylamino]acetic acid
CID 66531363
3-(2-chloro-4,5-dipropoxyphenyl)propanoic acid
CID 82268203
2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 66532313
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66532227
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]acetic acid
CID 66527432
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66532191
2-[2-[(2-chloro-4,5-diethoxyphenyl)methylamino]ethoxy]ethanol
CID 66532424
2-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]acetic acid
CID 66530272
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 66538009
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 66532498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid (CID 66532195) is 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid is CCCOc1cc(Cl)c(CNCC(=O)O)cc1OCC.
What is the InChIKey of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid?
The InChIKey is AOGDXUNRPVDAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-3-5-20-13-7-11(15)10(6-12(13)19-4-2)8-16-9-14(17)18/h6-7,16H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid?
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid has a molecular weight of 301.77 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 66532195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).