3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid

C13H24N2O3 — CID 81087927

IUPAC3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
SMILESCC(CN)CC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10(9-14)8-12(16)15-6-4-11(5-7-15)2-3-13(17)18/h10-11H,2-9,14H2,1H3,(H,17,18)
InChIKeyUCVRZCTUTUISFQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.07
Rot. Bonds6

About 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid

3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid (PubChem CID 81087927) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
PubChem CID81087927
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid
SMILESCC(CN)CC(=O)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10(9-14)8-12(16)15-6-4-11(5-7-15)2-3-13(17)18/h10-11H,2-9,14H2,1H3,(H,17,18)
InChIKeyUCVRZCTUTUISFQ-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-4-yl]propanoic acid
CID 62217609
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
3-[1-(2-methoxypropanoyl)piperidin-4-yl]propanoic acid
CID 112568653
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid (CID 81087927) is 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid is CC(CN)CC(=O)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
The InChIKey is UCVRZCTUTUISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(9-14)8-12(16)15-6-4-11(5-7-15)2-3-13(17)18/h10-11H,2-9,14H2,1H3,(H,17,18).
What are the key properties of 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid?
3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-3-methylbutanoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 81087927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).