5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid

C14H16N2O5 — CID 61363711

IUPAC5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(CC1CCCN1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C14H16N2O5/c17-12(7-10-2-1-3-15-10)16-11-5-8(13(18)19)4-9(6-11)14(20)21/h4-6,10,15H,1-3,7H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyMQZFHBLBNAWMND-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.16
Rot. Bonds5

About 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid

5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 61363711) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID61363711
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(CC1CCCN1)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C14H16N2O5/c17-12(7-10-2-1-3-15-10)16-11-5-8(13(18)19)4-9(6-11)14(20)21/h4-6,10,15H,1-3,7H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyMQZFHBLBNAWMND-UHFFFAOYSA-N
XLogP1.16
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673725
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
2-pyrrolidin-2-yl-N-thiophen-3-ylacetamide;hydrochloride
CID 119788965
N-(2-tert-butylpyrimidin-5-yl)-2-pyrrolidin-2-ylacetamide
CID 119752785
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid (CID 61363711) is 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid is O=C(CC1CCCN1)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is MQZFHBLBNAWMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12(7-10-2-1-3-15-10)16-11-5-8(13(18)19)4-9(6-11)14(20)21/h4-6,10,15H,1-3,7H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid?
5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 61363711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).