2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid

C13H15Cl2NO3 — CID 60832402

IUPAC2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16(7-13(18)19)12(17)6-9-3-4-10(14)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyJLBWGCYQNULESB-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.86
Rot. Bonds5

About 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 60832402) has the molecular formula C13H15Cl2NO3 and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
PubChem CID60832402
Molecular FormulaC13H15Cl2NO3
Molecular Weight304.17 g/mol
Exact Mass303.04
IUPAC Name2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO3/c1-8(2)16(7-13(18)19)12(17)6-9-3-4-10(14)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyJLBWGCYQNULESB-UHFFFAOYSA-N
XLogP2.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetate
CID 60766581
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580930
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-[(2-amino-2-oxoethyl)-[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 107433699
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119198334
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904
2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 95171569
2-[butan-2-yl-[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 62553124
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
N-butan-2-yl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 132986279
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid (CID 60832402) is 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is JLBWGCYQNULESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3/c1-8(2)16(7-13(18)19)12(17)6-9-3-4-10(14)11(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 304.17 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60832402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).