2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid

C13H18N2O4 — CID 108893237

IUPAC2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
SMILESCCc1ccccc1OCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-10-6-4-5-7-11(10)19-8-14-13(18)15-9(2)12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyGNUOTEPZHRRDCT-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.36
Rot. Bonds6

About 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid

2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid (PubChem CID 108893237) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
PubChem CID108893237
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
SMILESCCc1ccccc1OCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-10-6-4-5-7-11(10)19-8-14-13(18)15-9(2)12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyGNUOTEPZHRRDCT-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid
CID 108877173
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2-ethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893244
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
2-[(2-ethoxyphenoxy)methylcarbamoylamino]-3-methylbutanoic acid
CID 108877175
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
2-[[2-(2-ethylphenoxy)-2-phenylacetyl]amino]propanoic acid
CID 119348591
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-[(2-ethylphenoxy)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108893248
2-[[2-(2-ethylphenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 82043617
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid (CID 108893237) is 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid is CCc1ccccc1OCNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid?
The InChIKey is GNUOTEPZHRRDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-10-6-4-5-7-11(10)19-8-14-13(18)15-9(2)12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid?
2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 108893237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).