3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid

C10H18N2O3 — CID 62230387

IUPAC3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid
SMILESCCCN1CCN(C(=O)CC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-3-11-4-6-12(7-5-11)9(13)8-10(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyMKHCMJKRITUCDP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.02
Rot. Bonds4

About 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid

3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid (PubChem CID 62230387) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid
PubChem CID62230387
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid
SMILESCCCN1CCN(C(=O)CC(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-3-11-4-6-12(7-5-11)9(13)8-10(14)15/h2-8H2,1H3,(H,14,15)
InChIKeyMKHCMJKRITUCDP-UHFFFAOYSA-N
XLogP0.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid (CID 62230387) is 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid is CCCN1CCN(C(=O)CC(=O)O)CC1.
What is the InChIKey of 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid?
The InChIKey is MKHCMJKRITUCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-3-11-4-6-12(7-5-11)9(13)8-10(14)15/h2-8H2,1H3,(H,14,15).
What are the key properties of 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid?
3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(4-propylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 62230387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).