2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid

C15H17Cl2NO3 — CID 166299573

IUPAC2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid
SMILESCC1(CC(=O)NC(Cc2ccccc2)C(=O)O)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO3/c1-14(9-15(14,16)17)8-12(19)18-11(13(20)21)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyKJOGTKVASXOHSD-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.77
Rot. Bonds6

About 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid

2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 166299573) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID166299573
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid
SMILESCC1(CC(=O)NC(Cc2ccccc2)C(=O)O)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO3/c1-14(9-15(14,16)17)8-12(19)18-11(13(20)21)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyKJOGTKVASXOHSD-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic 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

(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
(2R)-2-[(3,5-dimethyladamantane-1-carbonyl)amino]-3-phenylpropanoic acid
CID 164674091
(2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 119367206
(2S)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 119366835
(2R)-3-phenyl-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096129
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
2-[(2-formamidoacetyl)amino]-3-phenylpropanoic acid
CID 86010429

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid (CID 166299573) is 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid is CC1(CC(=O)NC(Cc2ccccc2)C(=O)O)CC1(Cl)Cl.
What is the InChIKey of 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is KJOGTKVASXOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-14(9-15(14,16)17)8-12(19)18-11(13(20)21)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid?
2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 330.21 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 166299573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).