(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid

C10H14N2O2 — CID 7022656

IUPAC(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
SMILESCN(C)c1ccc([C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-12(2)8-5-3-7(4-6-8)9(11)10(13)14/h3-6,9H,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyZFEBPWVKGQEONY-VIFPVBQESA-N
MW194.23 g/mol
LogP0.84
Rot. Bonds3

About (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid

(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid (PubChem CID 7022656) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
PubChem CID7022656
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
SMILESCN(C)c1ccc([C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H14N2O2/c1-12(2)8-5-3-7(4-6-8)9(11)10(13)14/h3-6,9H,11H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyZFEBPWVKGQEONY-VIFPVBQESA-N
XLogP0.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-[4-(dimethylamino)phenyl]acetate
CID 3961928
2-bromo-2-[4-(dimethylamino)phenyl]acetic acid
CID 20558335
2-[4-(dimethylamino)phenyl]-2-hydrazinylacetic acid
CID 82126690
3-amino-4-[4-(dimethylamino)phenyl]-4-sulfanylbutanoic acid
CID 57305645
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid
CID 124634757
3-amino-4-[4-(dimethylamino)phenyl]-4-hydroxybutanoic acid
CID 82349136
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
CID 172809734
CID 172809734
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid (CID 7022656) is (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid is CN(C)c1ccc([C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid?
The InChIKey is ZFEBPWVKGQEONY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)8-5-3-7(4-6-8)9(11)10(13)14/h3-6,9H,11H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid?
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid has a molecular weight of 194.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid is sourced from PubChem (CID 7022656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).