(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate

C10H12BrNO3 — CID 82824333

IUPAC(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate
SMILESNCC(O)C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-8-3-1-7(2-4-8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2
InChIKeyAFDLVIDHLSNUQX-UHFFFAOYSA-N
MW274.11 g/mol
LogP0.81
Rot. Bonds4

About (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate

(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate (PubChem CID 82824333) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate
PubChem CID82824333
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate
SMILESNCC(O)C(=O)OCc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c11-8-3-1-7(2-4-8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2
InChIKeyAFDLVIDHLSNUQX-UHFFFAOYSA-N
XLogP0.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
(4-bromophenyl)methyl 2-amino-3-sulfanylpropanoate
CID 82824972
bis[(4-bromophenyl)methyl] butanedioate
CID 91729053
1-O-[(4-bromophenyl)methyl] 3-O-ethyl 2-ethylpropanedioate
CID 174418589
(4-bromophenyl)methyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 82824340
(4-bromophenyl)methyl 2-aminopent-4-ynoate
CID 82823834
(4-bromophenyl)methyl 2,4-bis(4-bromophenyl)-4-oxobutanoate
CID 102105842
2-[(4-bromophenyl)methoxy]acetamide
CID 82831352
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849
benzyl (2R)-2-hydroxypent-4-enoate
CID 11356210
propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
CID 1305384

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate?
The IUPAC name of (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate (CID 82824333) is (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate.
What is the SMILES notation for (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate?
The canonical SMILES for (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate is NCC(O)C(=O)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate?
The InChIKey is AFDLVIDHLSNUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-3-1-7(2-4-8)6-15-10(14)9(13)5-12/h1-4,9,13H,5-6,12H2.
What are the key properties of (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate?
(4-bromophenyl)methyl 3-amino-2-hydroxypropanoate has a molecular weight of 274.11 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 3-amino-2-hydroxypropanoate is sourced from PubChem (CID 82824333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).