1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 125438462

IUPAC1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCC[C@@H](CCC(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-17-10-4-5-12(11-17)6-7-13(18)16-15(14(19)20)8-2-3-9-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyCHWFXMBFJJZOLB-LBPRGKRZSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds5

About 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid

1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 125438462) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID125438462
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid
SMILESCN1CCC[C@@H](CCC(=O)NC2(C(=O)O)CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-17-10-4-5-12(11-17)6-7-13(18)16-15(14(19)20)8-2-3-9-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1
InChIKeyCHWFXMBFJJZOLB-LBPRGKRZSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
1-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 62547368
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(1-methylpyrrolidine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 54938838
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid (CID 125438462) is 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid is CN1CCC[C@@H](CCC(=O)NC2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CHWFXMBFJJZOLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-17-10-4-5-12(11-17)6-7-13(18)16-15(14(19)20)8-2-3-9-15/h12H,2-11H2,1H3,(H,16,18)(H,19,20)/t12-/m0/s1.
What are the key properties of 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-1-methylpiperidin-3-yl]propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 125438462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).