3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid

C14H21N3O3 — CID 43638916

IUPAC3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCn1cccc1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-2-16-6-3-4-12(16)14(20)17-10-8-15(9-11-17)7-5-13(18)19/h3-4,6H,2,5,7-11H2,1H3,(H,18,19)
InChIKeyFPZQPBMMSYUHRC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.74
Rot. Bonds5

About 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43638916) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43638916
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCn1cccc1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C14H21N3O3/c1-2-16-6-3-4-12(16)14(20)17-10-8-15(9-11-17)7-5-13(18)19/h3-4,6H,2,5,7-11H2,1H3,(H,18,19)
InChIKeyFPZQPBMMSYUHRC-UHFFFAOYSA-N
XLogP0.74
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid (CID 43638916) is 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid is CCn1cccc1C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is FPZQPBMMSYUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-6-3-4-12(16)14(20)17-10-8-15(9-11-17)7-5-13(18)19/h3-4,6H,2,5,7-11H2,1H3,(H,18,19).
What are the key properties of 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-ethylpyrrole-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43638916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).