2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid

C13H22N2O3 — CID 83147517

IUPAC2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)N1CCN(C(C)C(=O)O)CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-9(11-3-4-11)12(16)15-7-5-14(6-8-15)10(2)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyHRQHKIZHZFWHPN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid

2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 83147517) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
PubChem CID83147517
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)N1CCN(C(C)C(=O)O)CC1)C1CC1
InChIInChI=1S/C13H22N2O3/c1-9(11-3-4-11)12(16)15-7-5-14(6-8-15)10(2)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyHRQHKIZHZFWHPN-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanethioamide
CID 83154213
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
CID 83155007
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
4-(2-cyclopropylpropanoyl)piperazine-1-sulfonamide
CID 79506671
1-[4-(1-bromoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one
CID 106839353
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]propanoic acid
CID 62311109
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148
2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 62310904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid (CID 83147517) is 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid is CC(C(=O)N1CCN(C(C)C(=O)O)CC1)C1CC1.
What is the InChIKey of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is HRQHKIZHZFWHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(11-3-4-11)12(16)15-7-5-14(6-8-15)10(2)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid?
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 83147517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).