(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid

C10H9Cl2NO3 — CID 78961882

IUPAC(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c11-7-2-1-6(3-8(7)12)9(13-5-14)4-10(15)16/h1-3,5,9H,4H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyUKXQMUPADHLBFC-SECBINFHSA-N
MW262.09 g/mol
LogP2.26
Rot. Bonds5

About (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid

(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid (PubChem CID 78961882) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid.

Molecular Properties

Compound Name(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
PubChem CID78961882
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c11-7-2-1-6(3-8(7)12)9(13-5-14)4-10(15)16/h1-3,5,9H,4H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyUKXQMUPADHLBFC-SECBINFHSA-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'}

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Related Compounds

(3R)-3-(3-bromo-4-methylphenyl)-3-formamidopropanoic acid
CID 105405245
(3S)-3-(4-fluoro-3-methylphenyl)-3-formamidopropanoic acid
CID 78961833
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
CID 105378957
(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid
CID 106529006
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
(3S)-3-(3-bromo-4-methoxyphenyl)-3-formamidopropanoic acid
CID 78961802
3-(2,3-dihydro-1-benzofuran-6-yl)-3-formamidopropanoic acid
CID 165121477
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
(3S)-3-acetamido-3-(3-chloro-4-methylphenyl)propanoic acid
CID 106817778
3-[2-(3,4-dichlorophenyl)propanoylamino]butanoic acid
CID 119221515

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid?
The IUPAC name of (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid (CID 78961882) is (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid.
What is the SMILES notation for (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid?
The canonical SMILES for (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid is O=CN[C@H](CC(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid?
The InChIKey is UKXQMUPADHLBFC-SECBINFHSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c11-7-2-1-6(3-8(7)12)9(13-5-14)4-10(15)16/h1-3,5,9H,4H2,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid?
(3R)-3-(3,4-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-(3,4-dichlorophenyl)-3-formamidopropanoic acid is sourced from PubChem (CID 78961882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).