3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid

C12H24N2O2 — CID 83990005

IUPAC3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
SMILESCCCC1CC(NC)CN(CCC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-10-7-11(13-2)9-14(8-10)6-5-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyDNUUIPUEKAJVOO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds6

About 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid

3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid (PubChem CID 83990005) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
PubChem CID83990005
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
SMILESCCCC1CC(NC)CN(CCC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-10-7-11(13-2)9-14(8-10)6-5-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyDNUUIPUEKAJVOO-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
N-methyl-1,5-dipropylpiperidin-3-amine
CID 83989593
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83994909
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
6-(3-propylazetidin-1-yl)hexanoic acid
CID 79686619
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid (CID 83990005) is 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid is CCCC1CC(NC)CN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid?
The InChIKey is DNUUIPUEKAJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-10-7-11(13-2)9-14(8-10)6-5-12(15)16/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid?
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 83990005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).