2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid

C14H16Cl2N2O3 — CID 60834197

IUPAC2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
SMILESO=C(O)CN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(16)14(10)17-12(19)6-7-18(8-13(20)21)9-4-5-9/h1-3,9H,4-8H2,(H,17,19)(H,20,21)
InChIKeyYZNPVTITRSOTKO-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.87
Rot. Bonds7

About 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid

2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid (PubChem CID 60834197) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
PubChem CID60834197
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid
SMILESO=C(O)CN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(16)14(10)17-12(19)6-7-18(8-13(20)21)9-4-5-9/h1-3,9H,4-8H2,(H,17,19)(H,20,21)
InChIKeyYZNPVTITRSOTKO-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic 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

N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
3-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 34982405
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 119921476
3-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 56525625
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
3-[3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoylamino]propanoic acid
CID 84565869
N-(5-chloro-2-methylphenyl)-3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566712
3-[3-(2,6-dichloroanilino)-3-oxopropyl]sulfanylpropanoic acid
CID 43241674
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
4-[[cyclopropyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 35266299

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid (CID 60834197) is 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid is O=C(O)CN(CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid?
The InChIKey is YZNPVTITRSOTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(16)14(10)17-12(19)6-7-18(8-13(20)21)9-4-5-9/h1-3,9H,4-8H2,(H,17,19)(H,20,21).
What are the key properties of 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid?
2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid has a molecular weight of 331.20 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2,6-dichloroanilino)-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 60834197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).