(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid

C10H9Cl2NO3 — CID 78961885

IUPAC(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2NO3/c11-6-2-1-3-7(12)10(6)8(13-5-14)4-9(15)16/h1-3,5,8H,4H2,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyIGKHBGVUUHMABV-MRVPVSSYSA-N
MW262.09 g/mol
LogP2.26
Rot. Bonds5

About (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid

(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid (PubChem CID 78961885) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
PubChem CID78961885
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H9Cl2NO3/c11-6-2-1-3-7(12)10(6)8(13-5-14)4-9(15)16/h1-3,5,8H,4H2,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyIGKHBGVUUHMABV-MRVPVSSYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic 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

(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
CID 78961882
3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid
CID 106529006
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 165121353
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292
3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid
CID 56977935
3-formamido-3-quinolin-2-ylpropanoic acid
CID 64956181
(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
(3S)-3-(4-fluoro-3-methylphenyl)-3-formamidopropanoic acid
CID 78961833

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid?
The IUPAC name of (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid (CID 78961885) is (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid.
What is the SMILES notation for (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid?
The canonical SMILES for (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid is O=CN[C@H](CC(=O)O)c1c(Cl)cccc1Cl.
What is the InChIKey of (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid?
The InChIKey is IGKHBGVUUHMABV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c11-6-2-1-3-7(12)10(6)8(13-5-14)4-9(15)16/h1-3,5,8H,4H2,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid?
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid has a molecular weight of 262.09 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid is sourced from PubChem (CID 78961885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).