2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid

C15H28N2O2 — CID 63927012

IUPAC2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
SMILESCCCC1CCN(CC(NC)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-12-7-9-17(10-8-12)11-15(16-2,14(18)19)13-5-6-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyIKZATADAZSJMJD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.95
Rot. Bonds7

About 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid

2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid (PubChem CID 63927012) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
PubChem CID63927012
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
SMILESCCCC1CCN(CC(NC)(C(=O)O)C2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-3-4-12-7-9-17(10-8-12)11-15(16-2,14(18)19)13-5-6-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyIKZATADAZSJMJD-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-propylpiperidin-1-yl)propanoic acid
CID 62271022
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propanoic acid
CID 63927246
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
CID 63910516
ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
2-cyclopropyl-3-piperidin-1-yl-2-(propan-2-ylamino)propanoic acid
CID 63908091
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64583342
methyl 2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63911312
methyl 2-cyclopropyl-2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63927664

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid (CID 63927012) is 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid is CCCC1CCN(CC(NC)(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid?
The InChIKey is IKZATADAZSJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-4-12-7-9-17(10-8-12)11-15(16-2,14(18)19)13-5-6-13/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid?
2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 63927012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).