2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide

C10H14BrNO2 — CID 172898206

IUPAC2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
SMILESBr.Cc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H13NO2.BrH/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H
InChIKeyLJQDUALQLIHQRV-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.53
Rot. Bonds3

About 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide

2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide (PubChem CID 172898206) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide.

Molecular Properties

Compound Name2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
PubChem CID172898206
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
SMILESBr.Cc1ccc(CC(N)C(=O)O)cc1
InChIInChI=1S/C10H13NO2.BrH/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H
InChIKeyLJQDUALQLIHQRV-UHFFFAOYSA-N
XLogP1.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
(2S)-2-amino-3-[4-(2-amino-2-oxoethyl)phenyl]propanoic acid
CID 169025021
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-phenylpropanoic acid;ethane
CID 91596942

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide?
The IUPAC name of 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide (CID 172898206) is 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide.
What is the SMILES notation for 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide?
The canonical SMILES for 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide is Br.Cc1ccc(CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide?
The InChIKey is LJQDUALQLIHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.BrH/c1-7-2-4-8(5-3-7)6-9(11)10(12)13;/h2-5,9H,6,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide?
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide has a molecular weight of 260.13 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide is sourced from PubChem (CID 172898206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).