2-carboxyphenolate;N,N-dimethylethanamine

C11H16NO3- — CID 54677135

IUPAC2-carboxyphenolate;N,N-dimethylethanamine
SMILESCCN(C)C.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-4-5(2)3/h1-4,8H,(H,9,10);4H2,1-3H3/p-1
InChIKeyCGBBCMIYHKTCRC-UHFFFAOYSA-M
MW210.25 g/mol
LogP1.03
Rot. Bonds2

About 2-carboxyphenolate;N,N-dimethylethanamine

2-carboxyphenolate;N,N-dimethylethanamine (PubChem CID 54677135) has the molecular formula C11H16NO3- and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-carboxyphenolate;N,N-dimethylethanamine.

Molecular Properties

Compound Name2-carboxyphenolate;N,N-dimethylethanamine
PubChem CID54677135
Molecular FormulaC11H16NO3-
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-carboxyphenolate;N,N-dimethylethanamine
SMILESCCN(C)C.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-4-5(2)3/h1-4,8H,(H,9,10);4H2,1-3H3/p-1
InChIKeyCGBBCMIYHKTCRC-UHFFFAOYSA-M
XLogP1.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carboxyphenolate;N,N-diethylpropan-1-amine
CID 54677140
2-carboxyphenolate;ethane;methane
CID 158005371
copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate;gold(1+)
CID 54682314
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
potassium 2-carboxyphenolate
CID 23689489
dicalcium bis(2-carboxyphenolate)
CID 158572383
triazanium;tris(2-carboxyphenolate)
CID 172802459
dilithium bis(2-carboxyphenolate)
CID 54690284
magnesium tris(2-carboxyphenolate)
CID 54714197
magnesium bis(2-carboxyphenolate)
CID 54684589
2-carboxyphenolate carbonate
CID 54676053

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;N,N-dimethylethanamine?
The IUPAC name of 2-carboxyphenolate;N,N-dimethylethanamine (CID 54677135) is 2-carboxyphenolate;N,N-dimethylethanamine.
What is the SMILES notation for 2-carboxyphenolate;N,N-dimethylethanamine?
The canonical SMILES for 2-carboxyphenolate;N,N-dimethylethanamine is CCN(C)C.O=C(O)c1ccccc1[O-].
What is the InChIKey of 2-carboxyphenolate;N,N-dimethylethanamine?
The InChIKey is CGBBCMIYHKTCRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.C4H11N/c8-6-4-2-1-3-5(6)7(9)10;1-4-5(2)3/h1-4,8H,(H,9,10);4H2,1-3H3/p-1.
What are the key properties of 2-carboxyphenolate;N,N-dimethylethanamine?
2-carboxyphenolate;N,N-dimethylethanamine has a molecular weight of 210.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;N,N-dimethylethanamine is sourced from PubChem (CID 54677135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).