2-carboxyphenolate;N,N-diethylpropan-1-amine

C14H22NO3- — CID 54677140

IUPAC2-carboxyphenolate;N,N-diethylpropan-1-amine
SMILESCCCN(CC)CC.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H17N.C7H6O3/c1-4-7-8(5-2)6-3;8-6-4-2-1-3-5(6)7(9)10/h4-7H2,1-3H3;1-4,8H,(H,9,10)/p-1
InChIKeyHHUOGSLIRFRSNU-UHFFFAOYSA-M
MW252.33 g/mol
LogP2.20
Rot. Bonds5

About 2-carboxyphenolate;N,N-diethylpropan-1-amine

2-carboxyphenolate;N,N-diethylpropan-1-amine (PubChem CID 54677140) has the molecular formula C14H22NO3- and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-carboxyphenolate;N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2-carboxyphenolate;N,N-diethylpropan-1-amine
PubChem CID54677140
Molecular FormulaC14H22NO3-
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-carboxyphenolate;N,N-diethylpropan-1-amine
SMILESCCCN(CC)CC.O=C(O)c1ccccc1[O-]
InChIInChI=1S/C7H17N.C7H6O3/c1-4-7-8(5-2)6-3;8-6-4-2-1-3-5(6)7(9)10/h4-7H2,1-3H3;1-4,8H,(H,9,10)/p-1
InChIKeyHHUOGSLIRFRSNU-UHFFFAOYSA-M
XLogP2.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carboxyphenolate;N,N-dimethylethanamine
CID 54677135
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
dilithium bis(2-carboxyphenolate)
CID 54690284
magnesium tris(2-carboxyphenolate)
CID 54714197
triazanium;tris(2-carboxyphenolate)
CID 172802459
dicalcium bis(2-carboxyphenolate)
CID 158572383
magnesium bis(2-carboxyphenolate)
CID 54684589
2-carboxyphenolate carbonate
CID 54676053

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;N,N-diethylpropan-1-amine?
The IUPAC name of 2-carboxyphenolate;N,N-diethylpropan-1-amine (CID 54677140) is 2-carboxyphenolate;N,N-diethylpropan-1-amine.
What is the SMILES notation for 2-carboxyphenolate;N,N-diethylpropan-1-amine?
The canonical SMILES for 2-carboxyphenolate;N,N-diethylpropan-1-amine is CCCN(CC)CC.O=C(O)c1ccccc1[O-].
What is the InChIKey of 2-carboxyphenolate;N,N-diethylpropan-1-amine?
The InChIKey is HHUOGSLIRFRSNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17N.C7H6O3/c1-4-7-8(5-2)6-3;8-6-4-2-1-3-5(6)7(9)10/h4-7H2,1-3H3;1-4,8H,(H,9,10)/p-1.
What are the key properties of 2-carboxyphenolate;N,N-diethylpropan-1-amine?
2-carboxyphenolate;N,N-diethylpropan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyphenolate;N,N-diethylpropan-1-amine is sourced from PubChem (CID 54677140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).