2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid

C15H21ClN2O3 — CID 63065919

IUPAC2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)O
InChIInChI=1S/C15H21ClN2O3/c1-11(2)9-18(10-15(20)21)7-6-14(19)17-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyDNJGZRVSDUPRCS-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.71
Rot. Bonds8

About 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid

2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065919) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065919
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)O
InChIInChI=1S/C15H21ClN2O3/c1-11(2)9-18(10-15(20)21)7-6-14(19)17-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyDNJGZRVSDUPRCS-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)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

3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
5-(3-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 62965895
methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62027581
methyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-ethylamino]propanoate
CID 62027371
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
N-(3-chlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112461
3-[benzyl(methyl)amino]-N-(3-chlorophenyl)propanamide;oxalic acid
CID 171154533
2-[(3-anilino-3-oxopropyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425180
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119912317
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid (CID 63065919) is 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)O.
What is the InChIKey of 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is DNJGZRVSDUPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(2)9-18(10-15(20)21)7-6-14(19)17-13-5-3-4-12(16)8-13/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid?
2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 312.80 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chloroanilino)-3-oxopropyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).