2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid

C15H18N2O8 — CID 139585113

IUPAC2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid
SMILESCOC(=O)CN(C(=O)O)c1ccccc1N(CCOC(C)=O)C(=O)O
InChIInChI=1S/C15H18N2O8/c1-10(18)25-8-7-16(14(20)21)11-5-3-4-6-12(11)17(15(22)23)9-13(19)24-2/h3-6H,7-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyAPUVOPBXMBRNOU-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.39
Rot. Bonds7

About 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid

2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid (PubChem CID 139585113) has the molecular formula C15H18N2O8 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid
PubChem CID139585113
Molecular FormulaC15H18N2O8
Molecular Weight354.32 g/mol
Exact Mass354.11
IUPAC Name2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid
SMILESCOC(=O)CN(C(=O)O)c1ccccc1N(CCOC(C)=O)C(=O)O
InChIInChI=1S/C15H18N2O8/c1-10(18)25-8-7-16(14(20)21)11-5-3-4-6-12(11)17(15(22)23)9-13(19)24-2/h3-6H,7-9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyAPUVOPBXMBRNOU-UHFFFAOYSA-N
XLogP1.39
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid?
The IUPAC name of 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid (CID 139585113) is 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid.
What is the SMILES notation for 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid?
The canonical SMILES for 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid is COC(=O)CN(C(=O)O)c1ccccc1N(CCOC(C)=O)C(=O)O.
What is the InChIKey of 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid?
The InChIKey is APUVOPBXMBRNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O8/c1-10(18)25-8-7-16(14(20)21)11-5-3-4-6-12(11)17(15(22)23)9-13(19)24-2/h3-6H,7-9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid?
2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid has a molecular weight of 354.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-[2-[carboxy-(2-methoxy-2-oxoethyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 139585113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).