4-(methylamino)-3-phenylpentanoic acid;hydrochloride

C12H18ClNO2 — CID 13300364

IUPAC4-(methylamino)-3-phenylpentanoic acid;hydrochloride
SMILESCNC(C)C(CC(=O)O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9(13-2)11(8-12(14)15)10-6-4-3-5-7-10;/h3-7,9,11,13H,8H2,1-2H3,(H,14,15);1H
InChIKeyMUJPZGGZLAHFFQ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.27
Rot. Bonds5

About 4-(methylamino)-3-phenylpentanoic acid;hydrochloride

4-(methylamino)-3-phenylpentanoic acid;hydrochloride (PubChem CID 13300364) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-(methylamino)-3-phenylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-3-phenylpentanoic acid;hydrochloride
PubChem CID13300364
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-(methylamino)-3-phenylpentanoic acid;hydrochloride
SMILESCNC(C)C(CC(=O)O)c1ccccc1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9(13-2)11(8-12(14)15)10-6-4-3-5-7-10;/h3-7,9,11,13H,8H2,1-2H3,(H,14,15);1H
InChIKeyMUJPZGGZLAHFFQ-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-phenylpentanoic acid
CID 3249521
3,4-diphenylhexanoic acid
CID 153127747
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
3-(methylamino)-4-oxo-4-phenylbutanoic acid
CID 82322276
(2S,3S)-2-amino-3-phenylpentanedioic acid
CID 907743
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
[(2S,3S)-4-carboxy-1-fluoro-3-phenylbutan-2-yl]azanium
CID 91928909

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-phenylpentanoic acid;hydrochloride?
The IUPAC name of 4-(methylamino)-3-phenylpentanoic acid;hydrochloride (CID 13300364) is 4-(methylamino)-3-phenylpentanoic acid;hydrochloride.
What is the SMILES notation for 4-(methylamino)-3-phenylpentanoic acid;hydrochloride?
The canonical SMILES for 4-(methylamino)-3-phenylpentanoic acid;hydrochloride is CNC(C)C(CC(=O)O)c1ccccc1.Cl.
What is the InChIKey of 4-(methylamino)-3-phenylpentanoic acid;hydrochloride?
The InChIKey is MUJPZGGZLAHFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-9(13-2)11(8-12(14)15)10-6-4-3-5-7-10;/h3-7,9,11,13H,8H2,1-2H3,(H,14,15);1H.
What are the key properties of 4-(methylamino)-3-phenylpentanoic acid;hydrochloride?
4-(methylamino)-3-phenylpentanoic acid;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-phenylpentanoic acid;hydrochloride is sourced from PubChem (CID 13300364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).