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

C13H18N2O5 — CID 108877173

IUPAC2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid
SMILESCCOc1ccccc1OCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-3-19-10-6-4-5-7-11(10)20-8-14-13(18)15-9(2)12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyRZYLGOMJMDQKRV-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.19
Rot. Bonds7

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

2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid (PubChem CID 108877173) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid
PubChem CID108877173
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid
SMILESCCOc1ccccc1OCNC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-3-19-10-6-4-5-7-11(10)20-8-14-13(18)15-9(2)12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyRZYLGOMJMDQKRV-UHFFFAOYSA-N
XLogP1.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
CID 108893237
2-[(2-ethoxyphenoxy)methylcarbamoylamino]-3-methylbutanoic acid
CID 108877175
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557
(2R)-2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 78972422
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid (CID 108877173) is 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid is CCOc1ccccc1OCNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid?
The InChIKey is RZYLGOMJMDQKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-19-10-6-4-5-7-11(10)20-8-14-13(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-ethoxyphenoxy)methylcarbamoylamino]propanoic acid?
2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid has a molecular weight of 282.30 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 108877173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).