2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid

C12H13ClN2O4 — CID 60833853

IUPAC2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid
SMILESO=C(O)CN(CC1CNC(=O)O1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O4/c13-8-1-3-9(4-2-8)15(7-11(16)17)6-10-5-14-12(18)19-10/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeyMPBJHKLDXVZNKW-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.34
Rot. Bonds5

About 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid

2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid (PubChem CID 60833853) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid
PubChem CID60833853
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid
SMILESO=C(O)CN(CC1CNC(=O)O1)c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O4/c13-8-1-3-9(4-2-8)15(7-11(16)17)6-10-5-14-12(18)19-10/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeyMPBJHKLDXVZNKW-UHFFFAOYSA-N
XLogP1.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid (CID 60833853) is 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid is O=C(O)CN(CC1CNC(=O)O1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid?
The InChIKey is MPBJHKLDXVZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-8-1-3-9(4-2-8)15(7-11(16)17)6-10-5-14-12(18)19-10/h1-4,10H,5-7H2,(H,14,18)(H,16,17).
What are the key properties of 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid?
2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid has a molecular weight of 284.70 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]anilino]acetic acid is sourced from PubChem (CID 60833853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).