2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid

C15H22N2O4 — CID 60826561

IUPAC2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C1CC1
InChIInChI=1S/C15H22N2O4/c18-13(19)9-17(12-3-4-12)15(21)11-5-7-16(8-6-11)14(20)10-1-2-10/h10-12H,1-9H2,(H,18,19)
InChIKeyGQSIYUXEDOTNPD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.71
Rot. Bonds5

About 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid

2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 60826561) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
PubChem CID60826561
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C1CC1
InChIInChI=1S/C15H22N2O4/c18-13(19)9-17(12-3-4-12)15(21)11-5-7-16(8-6-11)14(20)10-1-2-10/h10-12H,1-9H2,(H,18,19)
InChIKeyGQSIYUXEDOTNPD-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid (CID 60826561) is 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)C1CCN(C(=O)C2CC2)CC1)C1CC1.
What is the InChIKey of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is GQSIYUXEDOTNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13(19)9-17(12-3-4-12)15(21)11-5-7-16(8-6-11)14(20)10-1-2-10/h10-12H,1-9H2,(H,18,19).
What are the key properties of 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid?
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60826561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).