2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid

C15H22N2O5 — CID 156691230

IUPAC2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid
SMILESCNCCOCCN(CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O5/c1-16-7-9-21-10-8-17(11-14(18)19)15(20)22-12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3,(H,18,19)
InChIKeyIYPFNVOBVIYVAC-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.95
Rot. Bonds10

About 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid

2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid (PubChem CID 156691230) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid
PubChem CID156691230
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid
SMILESCNCCOCCN(CC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O5/c1-16-7-9-21-10-8-17(11-14(18)19)15(20)22-12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3,(H,18,19)
InChIKeyIYPFNVOBVIYVAC-UHFFFAOYSA-N
XLogP0.95
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]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-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-[2-[2-[(2-oxo-2-phenylmethoxyethyl)-phenylmethoxycarbonylamino]ethoxy]ethoxy]ethyl]amino]acetate
CID 11104280
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
2-[4-[(3-formamido-3-phenylmethoxypropyl)-phenylmethoxycarbonylamino]butyl-phenylmethoxycarbonylamino]acetic acid
CID 87103791
benzyl N,N-bis[2-(4-aminophenoxy)ethyl]carbamate
CID 135223658
2-[3-[(1R)-1-phenylethyl]iminopropyl-phenylmethoxycarbonylamino]acetic acid
CID 158297931
benzyl 2-[6-(methylamino)hexyl-(2-oxo-2-phenylmethoxyethyl)amino]acetate
CID 59502420
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-ethyl-N-propylcarbamate
CID 126656974

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid?
The IUPAC name of 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid (CID 156691230) is 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid?
The canonical SMILES for 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid is CNCCOCCN(CC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid?
The InChIKey is IYPFNVOBVIYVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-16-7-9-21-10-8-17(11-14(18)19)15(20)22-12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3,(H,18,19).
What are the key properties of 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid?
2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid has a molecular weight of 310.35 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)ethoxy]ethyl-phenylmethoxycarbonylamino]acetic acid is sourced from PubChem (CID 156691230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).