3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid

C15H28N2O3 — CID 81046204

IUPAC3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
SMILESCC(C)NCCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)16-7-6-14(18)17-8-4-5-13(10-17)12(3)9-15(19)20/h11-13,16H,4-10H2,1-3H3,(H,19,20)
InChIKeyVCIAEXHQTZXIJN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds7

About 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid

3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid (PubChem CID 81046204) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
PubChem CID81046204
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
SMILESCC(C)NCCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-11(2)16-7-6-14(18)17-8-4-5-13(10-17)12(3)9-15(19)20/h11-13,16H,4-10H2,1-3H3,(H,19,20)
InChIKeyVCIAEXHQTZXIJN-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
2-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62691166
3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid
CID 81176622
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid (CID 81046204) is 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid is CC(C)NCCC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid?
The InChIKey is VCIAEXHQTZXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)16-7-6-14(18)17-8-4-5-13(10-17)12(3)9-15(19)20/h11-13,16H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid?
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).