2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid

C13H17Cl2NO2 — CID 79269061

IUPAC2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-13(2,3)16(8-11(17)18)7-9-5-4-6-10(14)12(9)15/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyAVURLPXKRFYORI-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.68
Rot. Bonds4

About 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid

2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid (PubChem CID 79269061) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
PubChem CID79269061
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-13(2,3)16(8-11(17)18)7-9-5-4-6-10(14)12(9)15/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyAVURLPXKRFYORI-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060982
2-[tert-butyl-[(5-chloro-2-hydroxyphenyl)methyl]amino]acetic acid
CID 79269154
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 79263016
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
2-[tert-butyl-[(4-chlorothiophen-2-yl)methyl]amino]acetic acid
CID 79427127
2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
CID 79268949
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
3-[(2,3-dichlorophenyl)methyl-ethylamino]butanoic acid
CID 65060850
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
2-[tert-butyl-[(2,3-dichlorophenyl)carbamoyl]amino]acetic acid
CID 79256587
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid (CID 79269061) is 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid?
The InChIKey is AVURLPXKRFYORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-13(2,3)16(8-11(17)18)7-9-5-4-6-10(14)12(9)15/h4-6H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid?
2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid has a molecular weight of 290.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2,3-dichlorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 79269061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).