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

C11H16N2O2 — CID 124634757

IUPAC(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid
SMILESCc1cc(N(C)C)ccc1[C@H](N)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-7-6-8(13(2)3)4-5-9(7)10(12)11(14)15/h4-6,10H,12H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyDWWZZVOXIHISMP-JTQLQIEISA-N
MW208.26 g/mol
LogP1.15
Rot. Bonds3

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

(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid (PubChem CID 124634757) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid
PubChem CID124634757
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid
SMILESCc1cc(N(C)C)ccc1[C@H](N)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-7-6-8(13(2)3)4-5-9(7)10(12)11(14)15/h4-6,10H,12H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyDWWZZVOXIHISMP-JTQLQIEISA-N
XLogP1.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-methyl-4-methylsulfanylphenyl)acetic acid
CID 117302066
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide
CID 116848899
1-[5-(dimethylamino)-2-methylphenyl]ethanone
CID 54505937
2-amino-2-(3-bromo-2,4-dimethylphenyl)acetic acid
CID 84805752
2-amino-2-(6-amino-4-methyl-3-pyridinyl)acetic acid
CID 55295400
3-[(S)-amino(carboxy)methyl]-4-methylbenzoic acid
CID 66510614
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591
N,N,3,4-tetramethylaniline
CID 12595466
2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid;ethane
CID 143579320
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid (CID 124634757) is (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid is Cc1cc(N(C)C)ccc1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid?
The InChIKey is DWWZZVOXIHISMP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-8(13(2)3)4-5-9(7)10(12)11(14)15/h4-6,10H,12H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid?
(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.15, 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)-2-methylphenyl]acetic acid is sourced from PubChem (CID 124634757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).