2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid

C12H12Cl2N2O4 — CID 107433699

IUPAC2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O4/c13-8-2-1-7(3-9(8)14)4-11(18)16(5-10(15)17)6-12(19)20/h1-3H,4-6H2,(H2,15,17)(H,19,20)
InChIKeyIBTAYGHOWXMHAL-UHFFFAOYSA-N
MW319.14 g/mol
LogP0.93
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid (PubChem CID 107433699) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
PubChem CID107433699
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2O4/c13-8-2-1-7(3-9(8)14)4-11(18)16(5-10(15)17)6-12(19)20/h1-3H,4-6H2,(H2,15,17)(H,19,20)
InChIKeyIBTAYGHOWXMHAL-UHFFFAOYSA-N
XLogP0.93
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
CID 63045790
2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
CID 60832402
2-[(2-amino-2-oxoethyl)-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 107433905
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-[4-(3,4-dichlorophenyl)butanoyl-ethylamino]acetic acid
CID 119205864
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
CID 107998136
4-(3,4-dichlorophenyl)butanamide
CID 47319689
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
3-(N-[2-(3,4-dichlorophenyl)acetyl]anilino)propanoic acid
CID 66759854
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
2-[(2-amino-2-oxoethyl)-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]acetic acid
CID 107433623
N-(2-bromoethyl)-2-(3,4-dichlorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107492483

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid (CID 107433699) is 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
The InChIKey is IBTAYGHOWXMHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c13-8-2-1-7(3-9(8)14)4-11(18)16(5-10(15)17)6-12(19)20/h1-3H,4-6H2,(H2,15,17)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid has a molecular weight of 319.14 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 107433699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).