3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid

C12H14N2O5 — CID 114162738

IUPAC3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
SMILESNC(=O)COCCNC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H14N2O5/c13-10(15)7-19-5-4-14-11(16)8-2-1-3-9(6-8)12(17)18/h1-3,6H,4-5,7H2,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyKNQNFSBFDCSFRC-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.38
Rot. Bonds7

About 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid

3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid (PubChem CID 114162738) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
PubChem CID114162738
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
SMILESNC(=O)COCCNC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C12H14N2O5/c13-10(15)7-19-5-4-14-11(16)8-2-1-3-9(6-8)12(17)18/h1-3,6H,4-5,7H2,(H2,13,15)(H,14,16)(H,17,18)
InChIKeyKNQNFSBFDCSFRC-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'}

Analyze 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic 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-[(3-carbamoylbenzoyl)amino]ethoxy]acetic acid
CID 79457804
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
CID 103819837
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoropyridine-4-carboxamide
CID 103767645
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]-3-hydroxybenzoic acid
CID 106239371
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
N-(2-butoxyethyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 76928576
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
CID 106233317
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-chloro-4-nitrobenzamide
CID 104864836
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid?
The IUPAC name of 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid (CID 114162738) is 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid is NC(=O)COCCNC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid?
The InChIKey is KNQNFSBFDCSFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c13-10(15)7-19-5-4-14-11(16)8-2-1-3-9(6-8)12(17)18/h1-3,6H,4-5,7H2,(H2,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid?
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic 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 3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 114162738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).