2-(3,4-dichlorophenyl)-2-formamidopropanoic acid

C10H9Cl2NO3 — CID 63689862

IUPAC2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
SMILESCC(NC=O)(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-10(9(15)16,13-5-14)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyWDOSOTUVGSQNJJ-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.04
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid

2-(3,4-dichlorophenyl)-2-formamidopropanoic acid (PubChem CID 63689862) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
PubChem CID63689862
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
SMILESCC(NC=O)(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO3/c1-10(9(15)16,13-5-14)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeyWDOSOTUVGSQNJJ-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.04
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

(2S)-2-formamido-2-phenylpropanoic acid
CID 86615567
2-(3-fluorophenyl)-2-formamidopropanoic acid
CID 63687632
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
methyl 2-(3,4-dichlorophenyl)-2-(methylamino)propanoate;hydrochloride
CID 75481381
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
2-(3,4-dichlorophenyl)-2-[[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]amino]propanoic acid
CID 136583482
2-(3,4-dichlorophenyl)-N,N'-diformyl-2-hydroxypropanediamide
CID 70489963
2-(2,5-difluorophenyl)-2-formamidopropanoic acid
CID 63687449
2-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754391
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid (CID 63689862) is 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid is CC(NC=O)(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid?
The InChIKey is WDOSOTUVGSQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-10(9(15)16,13-5-14)6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid?
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid has a molecular weight of 262.09 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-formamidopropanoic acid is sourced from PubChem (CID 63689862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).