(4-bromophenyl)methyl 2-aminopropanoate

C10H12BrNO2 — CID 79016894

IUPAC(4-bromophenyl)methyl 2-aminopropanoate
SMILESCC(N)C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-7(12)10(13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6,12H2,1H3
InChIKeyCZWXYLSQLRCRPF-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.84
Rot. Bonds3

About (4-bromophenyl)methyl 2-aminopropanoate

(4-bromophenyl)methyl 2-aminopropanoate (PubChem CID 79016894) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-aminopropanoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-aminopropanoate
PubChem CID79016894
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name(4-bromophenyl)methyl 2-aminopropanoate
SMILESCC(N)C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2/c1-7(12)10(13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6,12H2,1H3
InChIKeyCZWXYLSQLRCRPF-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate
CID 174846424
(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
benzyl (2S)-2-aminopropanoate
CID 726858
(4-bromophenyl)methyl 2-amino-3-sulfanylpropanoate
CID 82824972
(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate
CID 82824333
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
1-O-[(4-bromophenyl)methyl] 3-O-ethyl 2-ethylpropanedioate
CID 174418589
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
(4-nitrophenyl)methyl (2R)-2-aminopropanoate;hydrobromide
CID 56845406
(4-bromophenyl)methyl 2-aminopent-4-ynoate
CID 82823834
(4-nitrophenyl)methyl (2S)-2-aminopropanoate;hydrobromide
CID 15924095

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-aminopropanoate?
The IUPAC name of (4-bromophenyl)methyl 2-aminopropanoate (CID 79016894) is (4-bromophenyl)methyl 2-aminopropanoate.
What is the SMILES notation for (4-bromophenyl)methyl 2-aminopropanoate?
The canonical SMILES for (4-bromophenyl)methyl 2-aminopropanoate is CC(N)C(=O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 2-aminopropanoate?
The InChIKey is CZWXYLSQLRCRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(12)10(13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6,12H2,1H3.
What are the key properties of (4-bromophenyl)methyl 2-aminopropanoate?
(4-bromophenyl)methyl 2-aminopropanoate has a molecular weight of 258.12 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-aminopropanoate is sourced from PubChem (CID 79016894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).