2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid

C13H17Cl2NO2 — CID 61024255

IUPAC2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-4-8(2)16-13(3,12(17)18)10-6-5-9(14)7-11(10)15/h5-8,16H,4H2,1-3H3,(H,17,18)
InChIKeyZYRBJQRYXDYMOK-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.68
Rot. Bonds5

About 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid

2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid (PubChem CID 61024255) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
PubChem CID61024255
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-4-8(2)16-13(3,12(17)18)10-6-5-9(14)7-11(10)15/h5-8,16H,4H2,1-3H3,(H,17,18)
InChIKeyZYRBJQRYXDYMOK-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
CID 54918479
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-(2,5-dichlorophenyl)-2-(ethylamino)propanoic acid
CID 43753845
ethyl 2-(butan-2-ylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 63523954
2-(2,4-dichloro-5-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 60928878
2-(2-chloro-4-phenylphenyl)-2-[(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid
CID 174702905
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-(butan-2-ylamino)-2-(3-chlorophenyl)butanoic acid
CID 61024537
(2R,3R)-3-(2,4-dichlorophenyl)-2,3-dihydroxybutanoic acid
CID 118141013

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid (CID 61024255) is 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid is CCC(C)NC(C)(C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid?
The InChIKey is ZYRBJQRYXDYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-4-8(2)16-13(3,12(17)18)10-6-5-9(14)7-11(10)15/h5-8,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid?
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid has a molecular weight of 290.19 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 61024255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).