2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid

C12H14N2O5 — CID 79457804

IUPAC2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
SMILESNC(=O)c1cccc(C(=O)NCCOCC(=O)O)c1
InChIInChI=1S/C12H14N2O5/c13-11(17)8-2-1-3-9(6-8)12(18)14-4-5-19-7-10(15)16/h1-3,6H,4-5,7H2,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyYTBSOJDFLVEUMI-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.38
Rot. Bonds7

About 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid

2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid (PubChem CID 79457804) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
PubChem CID79457804
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
SMILESNC(=O)c1cccc(C(=O)NCCOCC(=O)O)c1
InChIInChI=1S/C12H14N2O5/c13-11(17)8-2-1-3-9(6-8)12(18)14-4-5-19-7-10(15)16/h1-3,6H,4-5,7H2,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyYTBSOJDFLVEUMI-UHFFFAOYSA-N
XLogP-0.38
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
2-[2-[(4-fluorobenzoyl)amino]ethoxy]acetic acid
CID 79456610
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
2-[2-(2-bromo-4-carbamoylanilino)ethoxy]acetic acid
CID 82797047
5-[(3-carbamoylbenzoyl)amino]-2-methylpentanoic acid
CID 104682792
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
2-[2-(1H-pyrazole-4-carbonylamino)ethoxy]acetic acid
CID 79469118
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid (CID 79457804) is 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid is NC(=O)c1cccc(C(=O)NCCOCC(=O)O)c1.
What is the InChIKey of 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid?
The InChIKey is YTBSOJDFLVEUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-11(17)8-2-1-3-9(6-8)12(18)14-4-5-19-7-10(15)16/h1-3,6H,4-5,7H2,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid?
2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid has a molecular weight of 266.25 g/mol, XLogP of -0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).