methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate

C11H15BrN2O2 — CID 129386301

IUPACmethyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNc1cc(Br)ccc1N
InChIInChI=1S/C11H15BrN2O2/c1-7(11(15)16-2)6-14-10-5-8(12)3-4-9(10)13/h3-5,7,14H,6,13H2,1-2H3/t7-/m1/s1
InChIKeySBEXSRWVZOPVRP-SSDOTTSWSA-N
MW287.16 g/mol
LogP2.25
Rot. Bonds4

About methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate

methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate (PubChem CID 129386301) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
PubChem CID129386301
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Namemethyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNc1cc(Br)ccc1N
InChIInChI=1S/C11H15BrN2O2/c1-7(11(15)16-2)6-14-10-5-8(12)3-4-9(10)13/h3-5,7,14H,6,13H2,1-2H3/t7-/m1/s1
InChIKeySBEXSRWVZOPVRP-SSDOTTSWSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate 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

methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
CID 43538645
methyl (2R)-3-(5-bromo-2-nitroanilino)-2-methylpropanoate
CID 129386364
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
methyl 3-(3-bromoanilino)-2-methylpropanoate
CID 43538528
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
methyl 3-(2-amino-4-bromophenyl)sulfanyl-2-methylpropanoate
CID 61318042
methyl 4-amino-3-[[(2R)-2-methoxypropyl]amino]benzoate
CID 169160430
methyl 2-acetamido-3-(4-bromo-2-methylanilino)propanoate
CID 103232313
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
2-(2-amino-5-bromoanilino)-1-cyclopropylethanol
CID 65342466
4-bromo-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine;ethane
CID 145256343

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate (CID 129386301) is methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate is COC(=O)[C@H](C)CNc1cc(Br)ccc1N.
What is the InChIKey of methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate?
The InChIKey is SBEXSRWVZOPVRP-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(11(15)16-2)6-14-10-5-8(12)3-4-9(10)13/h3-5,7,14H,6,13H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate?
methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate has a molecular weight of 287.16 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(2-amino-5-bromoanilino)-2-methylpropanoate is sourced from PubChem (CID 129386301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).