3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid

C12H22N2O3 — CID 81046132

IUPAC3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
SMILESCNCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9(6-12(16)17)10-4-3-5-14(8-10)11(15)7-13-2/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyHUTMTPVBPVJSER-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds5

About 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid

3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid (PubChem CID 81046132) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
PubChem CID81046132
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
SMILESCNCC(=O)N1CCCC(C(C)CC(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-9(6-12(16)17)10-4-3-5-14(8-10)11(15)7-13-2/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyHUTMTPVBPVJSER-UHFFFAOYSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090
1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
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-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948
3-[1-(3-ethoxypropanoyl)piperidin-3-yl]butanoic acid
CID 81047214
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid (CID 81046132) is 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid is CNCC(=O)N1CCCC(C(C)CC(=O)O)C1.
What is the InChIKey of 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid?
The InChIKey is HUTMTPVBPVJSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(6-12(16)17)10-4-3-5-14(8-10)11(15)7-13-2/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid?
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).