(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate

C10H13NO2 — CID 7046910

IUPAC(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate
SMILESCc1cccc([C@@H]([NH3+])C(=O)[O-])c1C
InChIInChI=1S/C10H13NO2/c1-6-4-3-5-8(7(6)2)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyFLGHVLZZFJGYOP-SECBINFHSA-N
MW179.22 g/mol
LogP-0.66
Rot. Bonds2

About (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate

(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate (PubChem CID 7046910) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate
PubChem CID7046910
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate
SMILESCc1cccc([C@@H]([NH3+])C(=O)[O-])c1C
InChIInChI=1S/C10H13NO2/c1-6-4-3-5-8(7(6)2)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyFLGHVLZZFJGYOP-SECBINFHSA-N
XLogP-0.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenyl)propanoyl chloride
CID 177150078
(2R)-2-azaniumyl-3-(2,6-dimethylphenyl)propanoate
CID 86308791
(4R,7S)-2,9-bis(2,3-dimethylphenyl)-3,4,7,8-tetrahydroxydecane-5,6-dione
CID 54403518
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
3-(2,3-dimethylphenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397670
methyl 2-chloro-2-(2,3-dimethylphenyl)acetate
CID 62225659
(2,3-dimethylphenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63926891
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-2-methylsulfanylethanol
CID 62692978
2-acetamido-2-(2,3-dimethylphenyl)acetic acid
CID 63701891
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate?
The IUPAC name of (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate (CID 7046910) is (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate.
What is the SMILES notation for (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate?
The canonical SMILES for (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate is Cc1cccc([C@@H]([NH3+])C(=O)[O-])c1C.
What is the InChIKey of (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate?
The InChIKey is FLGHVLZZFJGYOP-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-4-3-5-8(7(6)2)9(11)10(12)13/h3-5,9H,11H2,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate?
(2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate has a molecular weight of 179.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-2-(2,3-dimethylphenyl)acetate is sourced from PubChem (CID 7046910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).