(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid

C12H17NO2 — CID 93280068

IUPAC(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
SMILESCN[C@@H](C(=O)O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)9-4-6-10(7-5-9)11(13-3)12(14)15/h4-8,11,13H,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyNHJQWKXUUCZCQR-LLVKDONJSA-N
MW207.27 g/mol
LogP2.16
Rot. Bonds4

About (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid

(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid (PubChem CID 93280068) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
PubChem CID93280068
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
SMILESCN[C@@H](C(=O)O)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-8(2)9-4-6-10(7-5-9)11(13-3)12(14)15/h4-8,11,13H,1-3H3,(H,14,15)/t11-/m1/s1
InChIKeyNHJQWKXUUCZCQR-LLVKDONJSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
2-(4-ethylsulfanylphenyl)-2-(methylamino)acetic acid
CID 82473470
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
CID 82480584
(2S)-2-(4-propan-2-ylanilino)propanoic acid
CID 40788300
1-(4-chlorophenyl)-1-(methylamino)propan-2-one
CID 116955808
methylamino-(4-propan-2-ylphenyl)methanol
CID 116954610
(1S)-1-(methylamino)-1-phenylpropan-2-one
CID 59960222
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
3-(methylamino)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 82322375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid?
The IUPAC name of (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid (CID 93280068) is (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid?
The canonical SMILES for (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid is CN[C@@H](C(=O)O)c1ccc(C(C)C)cc1.
What is the InChIKey of (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid?
The InChIKey is NHJQWKXUUCZCQR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)9-4-6-10(7-5-9)11(13-3)12(14)15/h4-8,11,13H,1-3H3,(H,14,15)/t11-/m1/s1.
What are the key properties of (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid?
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid is sourced from PubChem (CID 93280068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).