2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

C13H17N3O5 — CID 79271811

IUPAC2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O5/c1-21-7-6-16(8-11(17)18)13(20)15-10-4-2-9(3-5-10)12(14)19/h2-5H,6-8H2,1H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyBHOQDDQYKNYLPK-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.35
Rot. Bonds7

About 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79271811) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79271811
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17N3O5/c1-21-7-6-16(8-11(17)18)13(20)15-10-4-2-9(3-5-10)12(14)19/h2-5H,6-8H2,1H3,(H2,14,19)(H,15,20)(H,17,18)
InChIKeyBHOQDDQYKNYLPK-UHFFFAOYSA-N
XLogP0.35
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[(4-carbamoylphenyl)carbamoyl-prop-2-ynylamino]acetic acid
CID 79284203
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 107576404
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272091
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
1-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-3-phenylurea
CID 38283609
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
2-[2-methoxyethyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79269689
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79271811) is 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is BHOQDDQYKNYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-21-7-6-16(8-11(17)18)13(20)15-10-4-2-9(3-5-10)12(14)19/h2-5H,6-8H2,1H3,(H2,14,19)(H,15,20)(H,17,18).
What are the key properties of 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).