3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid

C12H24N2O2 — CID 83989667

IUPAC3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
SMILESCNC1CC(CCC(=O)O)CN(C(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)14-7-10(4-5-12(15)16)6-11(8-14)13-3/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyWVXGEBCVNYOGNT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid

3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid (PubChem CID 83989667) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
PubChem CID83989667
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
SMILESCNC1CC(CCC(=O)O)CN(C(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)14-7-10(4-5-12(15)16)6-11(8-14)13-3/h9-11,13H,4-8H2,1-3H3,(H,15,16)
InChIKeyWVXGEBCVNYOGNT-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910
methyl 3-[5-(methoxycarbonylamino)-1-propan-2-ylpiperidin-3-yl]propanoate
CID 112543128
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
CID 112541751
3-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]propanoic acid
CID 83993818
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
CID 83994612
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid (CID 83989667) is 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid is CNC1CC(CCC(=O)O)CN(C(C)C)C1.
What is the InChIKey of 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid?
The InChIKey is WVXGEBCVNYOGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14-7-10(4-5-12(15)16)6-11(8-14)13-3/h9-11,13H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid?
3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 83989667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).