(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid

C12H16BrNO2 — CID 122038180

IUPAC(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
SMILESCC(CN[C@H](C)C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(7-14-9(2)12(15)16)10-4-3-5-11(13)6-10/h3-6,8-9,14H,7H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyAXOAMBUEXVQXRM-YGPZHTELSA-N
MW286.17 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid

(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid (PubChem CID 122038180) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
PubChem CID122038180
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
SMILESCC(CN[C@H](C)C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-8(7-14-9(2)12(15)16)10-4-3-5-11(13)6-10/h3-6,8-9,14H,7H2,1-2H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyAXOAMBUEXVQXRM-YGPZHTELSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 103257311
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
(2S)-2-[(2-amino-2-phenylethyl)amino]propanoic acid
CID 70585968
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672
2-(3-bromophenyl)-4-hydroxybutanoic acid
CID 79440872
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
3-(3-bromophenyl)-2-fluorobutanoic acid
CID 130820150
2-(3-bromophenyl)-2-(propanoylamino)acetic acid
CID 82094115

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid (CID 122038180) is (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid is CC(CN[C@H](C)C(=O)O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid?
The InChIKey is AXOAMBUEXVQXRM-YGPZHTELSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8(7-14-9(2)12(15)16)10-4-3-5-11(13)6-10/h3-6,8-9,14H,7H2,1-2H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid?
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid has a molecular weight of 286.17 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid is sourced from PubChem (CID 122038180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).