(2R)-2-amino-3-(2-bromophenyl)propanoic acid

C9H10BrNO2 — CID 7023575

IUPAC(2R)-2-amino-3-(2-bromophenyl)propanoic acid
SMILESN[C@H](Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyJFVLNTLXEZDFHW-MRVPVSSYSA-N
MW244.09 g/mol
LogP1.40
Rot. Bonds3

About (2R)-2-amino-3-(2-bromophenyl)propanoic acid

(2R)-2-amino-3-(2-bromophenyl)propanoic acid (PubChem CID 7023575) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-bromophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-bromophenyl)propanoic acid
PubChem CID7023575
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name(2R)-2-amino-3-(2-bromophenyl)propanoic acid
SMILESN[C@H](Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
InChIKeyJFVLNTLXEZDFHW-MRVPVSSYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
2-amino-3-[(2-bromophenyl)methylsulfanyl]propanoic acid
CID 24698640
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
2-amino-5-(2-bromophenyl)pentanoic acid
CID 83664407
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-bromophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-bromophenyl)propanoic acid (CID 7023575) is (2R)-2-amino-3-(2-bromophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-bromophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-bromophenyl)propanoic acid is N[C@H](Cc1ccccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-bromophenyl)propanoic acid?
The InChIKey is JFVLNTLXEZDFHW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(2-bromophenyl)propanoic acid?
(2R)-2-amino-3-(2-bromophenyl)propanoic acid has a molecular weight of 244.09 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-bromophenyl)propanoic acid is sourced from PubChem (CID 7023575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).