3-(methylamino)-3-(2-methylphenyl)propanoic acid

C11H15NO2 — CID 65236485

IUPAC3-(methylamino)-3-(2-methylphenyl)propanoic acid
SMILESCNC(CC(=O)O)c1ccccc1C
InChIInChI=1S/C11H15NO2/c1-8-5-3-4-6-9(8)10(12-2)7-11(13)14/h3-6,10,12H,7H2,1-2H3,(H,13,14)
InChIKeyIPMXMXPCXVPZAC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.73
Rot. Bonds4

About 3-(methylamino)-3-(2-methylphenyl)propanoic acid

3-(methylamino)-3-(2-methylphenyl)propanoic acid (PubChem CID 65236485) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(methylamino)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(methylamino)-3-(2-methylphenyl)propanoic acid
PubChem CID65236485
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(methylamino)-3-(2-methylphenyl)propanoic acid
SMILESCNC(CC(=O)O)c1ccccc1C
InChIInChI=1S/C11H15NO2/c1-8-5-3-4-6-9(8)10(12-2)7-11(13)14/h3-6,10,12H,7H2,1-2H3,(H,13,14)
InChIKeyIPMXMXPCXVPZAC-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylbutanoylamino)-3-(2-methylphenyl)propanoic acid
CID 120606642
3-(3-methylbut-2-enoylamino)-3-(2-methylphenyl)propanoic acid
CID 86782567
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
(3S)-3-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 98271190
3-(2-methylphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 90093433
(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
3-(2-methylphenyl)-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 90094238
3-amino-4-(2-methylphenyl)pentanoic acid
CID 69407204
CID 167634596
CID 167634596
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methylphenyl)propanoic acid
CID 7023335
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methylphenyl)propanoic acid
CID 22831633

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(methylamino)-3-(2-methylphenyl)propanoic acid (CID 65236485) is 3-(methylamino)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(methylamino)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(methylamino)-3-(2-methylphenyl)propanoic acid is CNC(CC(=O)O)c1ccccc1C.
What is the InChIKey of 3-(methylamino)-3-(2-methylphenyl)propanoic acid?
The InChIKey is IPMXMXPCXVPZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-5-3-4-6-9(8)10(12-2)7-11(13)14/h3-6,10,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(methylamino)-3-(2-methylphenyl)propanoic acid?
3-(methylamino)-3-(2-methylphenyl)propanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 65236485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).