3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid

C14H20N2O5 — CID 122004183

IUPAC3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
SMILESCOc1ccccc1OC(C)CNC(=O)NCCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-10(9-16-14(19)15-8-7-13(17)18)21-12-6-4-3-5-11(12)20-2/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyNKBXQGQXDSXFOO-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.24
Rot. Bonds8

About 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid

3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid (PubChem CID 122004183) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
PubChem CID122004183
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid
SMILESCOc1ccccc1OC(C)CNC(=O)NCCC(=O)O
InChIInChI=1S/C14H20N2O5/c1-10(9-16-14(19)15-8-7-13(17)18)21-12-6-4-3-5-11(12)20-2/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyNKBXQGQXDSXFOO-UHFFFAOYSA-N
XLogP1.24
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenoxy)propylcarbamoylamino]propanoic acid
CID 122004324
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111482952
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
3-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111683641
1-[2-(2-methoxyphenoxy)propyl]-2-(2-methylpropyl)guanidine
CID 111820552
3-[(2-ethoxy-2-phenylethyl)carbamoylamino]propanoic acid
CID 122012065
2-benzyl-3-[2-(2-methoxyphenoxy)propyl]-1,1-dimethylguanidine;hydroiodide
CID 111683581

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid (CID 122004183) is 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid is COc1ccccc1OC(C)CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid?
The InChIKey is NKBXQGQXDSXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(9-16-14(19)15-8-7-13(17)18)21-12-6-4-3-5-11(12)20-2/h3-6,10H,7-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid?
3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)propylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122004183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).