2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid

C12H15N3O5 — CID 79463712

IUPAC2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESNC(=O)c1ccc(NC(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C12H15N3O5/c13-11(18)8-1-3-9(4-2-8)15-12(19)14-5-6-20-7-10(16)17/h1-4H,5-7H2,(H2,13,18)(H,16,17)(H2,14,15,19)
InChIKeyIBQWCOMCDYZVHM-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.01
Rot. Bonds7

About 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463712) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463712
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
SMILESNC(=O)c1ccc(NC(=O)NCCOCC(=O)O)cc1
InChIInChI=1S/C12H15N3O5/c13-11(18)8-1-3-9(4-2-8)15-12(19)14-5-6-20-7-10(16)17/h1-4H,5-7H2,(H2,13,18)(H,16,17)(H2,14,15,19)
InChIKeyIBQWCOMCDYZVHM-UHFFFAOYSA-N
XLogP0.01
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
CID 106238550
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
2-[2-[(3-bromo-4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 114262271
2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
CID 79457804
2-[2-[[3-(methylaminomethyl)phenyl]carbamoylamino]ethoxy]acetic acid
CID 79463447
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid (CID 79463712) is 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid is NC(=O)c1ccc(NC(=O)NCCOCC(=O)O)cc1.
What is the InChIKey of 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is IBQWCOMCDYZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c13-11(18)8-1-3-9(4-2-8)15-12(19)14-5-6-20-7-10(16)17/h1-4H,5-7H2,(H2,13,18)(H,16,17)(H2,14,15,19).
What are the key properties of 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 281.27 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).