2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid

C13H18N2O5 — CID 18072393

IUPAC2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
SMILESCCOc1ccc(NC(=O)NCC(=O)O)cc1OCC
InChIInChI=1S/C13H18N2O5/c1-3-19-10-6-5-9(7-11(10)20-4-2)15-13(18)14-8-12(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyJHGYGFWSNDIPPJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.69
Rot. Bonds7

About 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid

2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid (PubChem CID 18072393) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
PubChem CID18072393
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
SMILESCCOc1ccc(NC(=O)NCC(=O)O)cc1OCC
InChIInChI=1S/C13H18N2O5/c1-3-19-10-6-5-9(7-11(10)20-4-2)15-13(18)14-8-12(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyJHGYGFWSNDIPPJ-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914314
1-[2-(3-bromophenyl)ethyl]-3-(3,4-diethoxyphenyl)urea
CID 108901661
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid (CID 18072393) is 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid is CCOc1ccc(NC(=O)NCC(=O)O)cc1OCC.
What is the InChIKey of 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid?
The InChIKey is JHGYGFWSNDIPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-19-10-6-5-9(7-11(10)20-4-2)15-13(18)14-8-12(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid?
2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 18072393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).