2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid

C11H12ClNO4 — CID 17283229

IUPAC2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c12-9-3-1-8(2-4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyUCHYDRYKKNFKDT-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.06
Rot. Bonds6

About 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 17283229) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID17283229
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c12-9-3-1-8(2-4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyUCHYDRYKKNFKDT-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 61328220
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
2-[2-[(4-chloro-2-fluorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 110482879
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-[2-[(5-chloro-1-benzothiophen-3-yl)methylamino]-2-oxoethoxy]acetic acid
CID 2811466
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
2-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 7357757

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid (CID 17283229) is 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is UCHYDRYKKNFKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c12-9-3-1-8(2-4-9)5-13-10(14)6-17-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 257.67 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 17283229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).