2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid

C12H13NO5 — CID 113431494

IUPAC2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
SMILESCOC(=O)CNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C12H13NO5/c1-18-11(15)7-13-10(14)6-8-4-2-3-5-9(8)12(16)17/h2-5H,6-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyFZPOBCUXSSLVOP-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.22
Rot. Bonds5

About 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid

2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid (PubChem CID 113431494) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
PubChem CID113431494
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
SMILESCOC(=O)CNC(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C12H13NO5/c1-18-11(15)7-13-10(14)6-8-4-2-3-5-9(8)12(16)17/h2-5H,6-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyFZPOBCUXSSLVOP-UHFFFAOYSA-N
XLogP0.22
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923787
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923743
2-[2-(2-methoxyethoxyamino)-2-oxoethyl]benzoic acid
CID 104601734
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
2-[2-(2-acetamidoethylamino)-2-oxoethyl]benzoic acid
CID 112568591
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
2-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 104601328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid (CID 113431494) is 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid is COC(=O)CNC(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is FZPOBCUXSSLVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-18-11(15)7-13-10(14)6-8-4-2-3-5-9(8)12(16)17/h2-5H,6-7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 113431494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).