methyl (2S)-2-(3,5-dichloroanilino)propanoate

C10H11Cl2NO2 — CID 26599088

IUPACmethyl (2S)-2-(3,5-dichloroanilino)propanoate
SMILESCOC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-6(10(14)15-2)13-9-4-7(11)3-8(12)5-9/h3-6,13H,1-2H3/t6-/m0/s1
InChIKeyRODHUUSFARCEAO-LURJTMIESA-N
MW248.11 g/mol
LogP2.97
Rot. Bonds3

About methyl (2S)-2-(3,5-dichloroanilino)propanoate

methyl (2S)-2-(3,5-dichloroanilino)propanoate (PubChem CID 26599088) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is methyl (2S)-2-(3,5-dichloroanilino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3,5-dichloroanilino)propanoate
PubChem CID26599088
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Namemethyl (2S)-2-(3,5-dichloroanilino)propanoate
SMILESCOC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-6(10(14)15-2)13-9-4-7(11)3-8(12)5-9/h3-6,13H,1-2H3/t6-/m0/s1
InChIKeyRODHUUSFARCEAO-LURJTMIESA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloroanilino)propanamide
CID 43085996
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
methyl 2-anilinopropanoate
CID 3417283
(2S)-2-(3,5-dichloroanilino)-N-hexan-2-ylpropanamide;methanamine
CID 172781783
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
3,5-dichloro-N-propan-2-ylaniline
CID 2758170
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
2-(3-chloro-5-fluoroanilino)propanoic acid
CID 107363833
(2R)-2-(3-chloroanilino)propanamide;hydrochloride
CID 164755970
methyl (2S)-2-(4-fluoroanilino)propanoate;hydrochloride
CID 70079411

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3,5-dichloroanilino)propanoate?
The IUPAC name of methyl (2S)-2-(3,5-dichloroanilino)propanoate (CID 26599088) is methyl (2S)-2-(3,5-dichloroanilino)propanoate.
What is the SMILES notation for methyl (2S)-2-(3,5-dichloroanilino)propanoate?
The canonical SMILES for methyl (2S)-2-(3,5-dichloroanilino)propanoate is COC(=O)[C@H](C)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl (2S)-2-(3,5-dichloroanilino)propanoate?
The InChIKey is RODHUUSFARCEAO-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-6(10(14)15-2)13-9-4-7(11)3-8(12)5-9/h3-6,13H,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(3,5-dichloroanilino)propanoate?
methyl (2S)-2-(3,5-dichloroanilino)propanoate has a molecular weight of 248.11 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3,5-dichloroanilino)propanoate is sourced from PubChem (CID 26599088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).