2-[3-(diethylamino)propanoylamino]benzoic acid

C14H20N2O3 — CID 559444

IUPAC2-[3-(diethylamino)propanoylamino]benzoic acid
SMILESCCN(CC)CCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-16(4-2)10-9-13(17)15-12-8-6-5-7-11(12)14(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCMVBQVZTAQUTBF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.06
Rot. Bonds7

About 2-[3-(diethylamino)propanoylamino]benzoic acid

2-[3-(diethylamino)propanoylamino]benzoic acid (PubChem CID 559444) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(diethylamino)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(diethylamino)propanoylamino]benzoic acid
PubChem CID559444
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[3-(diethylamino)propanoylamino]benzoic acid
SMILESCCN(CC)CCC(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-16(4-2)10-9-13(17)15-12-8-6-5-7-11(12)14(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyCMVBQVZTAQUTBF-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
2-(hexacosanoylamino)benzoic acid
CID 123304158
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
2-[(6-amino-4,4-dimethylhexanoyl)amino]benzoic acid
CID 65291915
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
CID 78830866
3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
2-(butanoylamino)benzoic acid;1-methyl-3-phenylbenzene
CID 143234395
2-[[3-(2-heptadecanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
CID 25113731

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(diethylamino)propanoylamino]benzoic acid (CID 559444) is 2-[3-(diethylamino)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(diethylamino)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(diethylamino)propanoylamino]benzoic acid is CCN(CC)CCC(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(diethylamino)propanoylamino]benzoic acid?
The InChIKey is CMVBQVZTAQUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-16(4-2)10-9-13(17)15-12-8-6-5-7-11(12)14(18)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[3-(diethylamino)propanoylamino]benzoic acid?
2-[3-(diethylamino)propanoylamino]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propanoylamino]benzoic acid is sourced from PubChem (CID 559444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).