2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid

C11H15BrN2O2 — CID 103257311

IUPAC2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
SMILESC[C@@H](NCC(N)C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-7(14-6-10(13)11(15)16)8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3,(H,15,16)/t7-,10?/m1/s1
InChIKeyQCRMODCODQBRNP-PVSHWOEXSA-N
MW287.16 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid

2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid (PubChem CID 103257311) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
PubChem CID103257311
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
SMILESC[C@@H](NCC(N)C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c1-7(14-6-10(13)11(15)16)8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3,(H,15,16)/t7-,10?/m1/s1
InChIKeyQCRMODCODQBRNP-PVSHWOEXSA-N
XLogP1.51
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81381770
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
2-amino-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]propanoic acid
CID 103258828
(2S)-2-amino-N-[1-(3-bromophenyl)ethyl]butanamide
CID 79025388
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanoic acid
CID 81382738
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
CID 122038180
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid (CID 103257311) is 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid is C[C@@H](NCC(N)C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid?
The InChIKey is QCRMODCODQBRNP-PVSHWOEXSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-7(14-6-10(13)11(15)16)8-3-2-4-9(12)5-8/h2-5,7,10,14H,6,13H2,1H3,(H,15,16)/t7-,10?/m1/s1.
What are the key properties of 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid?
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid has a molecular weight of 287.16 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid is sourced from PubChem (CID 103257311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).