4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid

C14H19N3O4 — CID 61405513

IUPAC4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(CCO)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H19N3O4/c18-10-9-17(14(21)16-7-5-15-6-8-16)12-3-1-11(2-4-12)13(19)20/h1-4,15,18H,5-10H2,(H,19,20)
InChIKeyDSPCCLWBKCAQRC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.21
Rot. Bonds4

About 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid

4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid (PubChem CID 61405513) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid
PubChem CID61405513
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(CCO)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H19N3O4/c18-10-9-17(14(21)16-7-5-15-6-8-16)12-3-1-11(2-4-12)13(19)20/h1-4,15,18H,5-10H2,(H,19,20)
InChIKeyDSPCCLWBKCAQRC-UHFFFAOYSA-N
XLogP0.21
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid (CID 61405513) is 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid is O=C(O)c1ccc(N(CCO)C(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid?
The InChIKey is DSPCCLWBKCAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-10-9-17(14(21)16-7-5-15-6-8-16)12-3-1-11(2-4-12)13(19)20/h1-4,15,18H,5-10H2,(H,19,20).
What are the key properties of 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid?
4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61405513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).