2-(dimethylamino)-2-(2-nitrophenyl)acetic acid

C10H12N2O4 — CID 84749158

IUPAC2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
SMILESCN(C)C(C(=O)O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-11(2)9(10(13)14)7-5-3-4-6-8(7)12(15)16/h3-6,9H,1-2H3,(H,13,14)
InChIKeyFMDHTEXZFBQAHQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.28
Rot. Bonds4

About 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid

2-(dimethylamino)-2-(2-nitrophenyl)acetic acid (PubChem CID 84749158) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
PubChem CID84749158
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(dimethylamino)-2-(2-nitrophenyl)acetic acid
SMILESCN(C)C(C(=O)O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-11(2)9(10(13)14)7-5-3-4-6-8(7)12(15)16/h3-6,9H,1-2H3,(H,13,14)
InChIKeyFMDHTEXZFBQAHQ-UHFFFAOYSA-N
XLogP1.28
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[cyclohexyl(methyl)amino]-2-(2-nitrophenyl)acetic acid
CID 84749144
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
2-(2-nitrophenyl)propanedioic acid
CID 18413218
2-[butyl(ethyl)amino]-2-(2-nitrophenyl)acetic acid
CID 84749136
(2S)-2-(2-nitrophenyl)butanoic acid
CID 93333341
3-amino-2-(2-nitrophenyl)butanoic acid
CID 67114561
2-methyl-2-[methyl-[1-(2-nitrophenyl)ethyl]amino]propanoic acid
CID 65060790
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
2-[2-(dimethylamino)ethylamino]-2-(2-nitrophenyl)acetic acid
CID 84748520
2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile
CID 84757692
2-(2-nitrophenyl)propanethioic S-acid
CID 21317382

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid (CID 84749158) is 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid is CN(C)C(C(=O)O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid?
The InChIKey is FMDHTEXZFBQAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11(2)9(10(13)14)7-5-3-4-6-8(7)12(15)16/h3-6,9H,1-2H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid?
2-(dimethylamino)-2-(2-nitrophenyl)acetic acid has a molecular weight of 224.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-nitrophenyl)acetic acid is sourced from PubChem (CID 84749158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).