2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid

C13H22N2O4 — CID 63877468

IUPAC2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(N)(C(=O)N1CCC(OCC(=O)O)CC1)C1CC1
InChIInChI=1S/C13H22N2O4/c1-13(14,9-2-3-9)12(18)15-6-4-10(5-7-15)19-8-11(16)17/h9-10H,2-8,14H2,1H3,(H,16,17)
InChIKeyZCIAMAOVLZIUPF-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.21
Rot. Bonds5

About 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid

2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63877468) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63877468
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(N)(C(=O)N1CCC(OCC(=O)O)CC1)C1CC1
InChIInChI=1S/C13H22N2O4/c1-13(14,9-2-3-9)12(18)15-6-4-10(5-7-15)19-8-11(16)17/h9-10H,2-8,14H2,1H3,(H,16,17)
InChIKeyZCIAMAOVLZIUPF-UHFFFAOYSA-N
XLogP0.21
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
2-amino-2-methyl-1-[4-(2-methylpropoxy)piperidin-1-yl]propan-1-one
CID 83625811
1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 60946615
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307
methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
CID 54916371
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid (CID 63877468) is 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid is CC(N)(C(=O)N1CCC(OCC(=O)O)CC1)C1CC1.
What is the InChIKey of 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ZCIAMAOVLZIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(14,9-2-3-9)12(18)15-6-4-10(5-7-15)19-8-11(16)17/h9-10H,2-8,14H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-cyclopropylpropanoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).