2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid

C14H22N2O5 — CID 110284355

IUPAC2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCCOCCN1CCN(C(=O)C2CC2)C(CC(=O)O)C1=O
InChIInChI=1S/C14H22N2O5/c1-2-21-8-7-15-5-6-16(13(19)10-3-4-10)11(14(15)20)9-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyKBCRDZQOAJKLMS-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.05
Rot. Bonds7

About 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284355) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284355
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCCOCCN1CCN(C(=O)C2CC2)C(CC(=O)O)C1=O
InChIInChI=1S/C14H22N2O5/c1-2-21-8-7-15-5-6-16(13(19)10-3-4-10)11(14(15)20)9-12(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyKBCRDZQOAJKLMS-UHFFFAOYSA-N
XLogP-0.05
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid (CID 110284355) is 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid is CCOCCN1CCN(C(=O)C2CC2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is KBCRDZQOAJKLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-2-21-8-7-15-5-6-16(13(19)10-3-4-10)11(14(15)20)9-12(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 298.34 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)-4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).