2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid

C14H27N3O2 — CID 63907041

IUPAC2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
SMILESCNC(CN(C)C1CCN(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-15-14(13(18)19,11-4-5-11)10-17(3)12-6-8-16(2)9-7-12/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyULXFHDPWMFCAIC-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.47
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid

2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid (PubChem CID 63907041) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
PubChem CID63907041
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
SMILESCNC(CN(C)C1CCN(C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C14H27N3O2/c1-15-14(13(18)19,11-4-5-11)10-17(3)12-6-8-16(2)9-7-12/h11-12,15H,4-10H2,1-3H3,(H,18,19)
InChIKeyULXFHDPWMFCAIC-UHFFFAOYSA-N
XLogP0.47
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 63909169
2-Cyclopropyl-2-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63909361
2-Cyclopropyl-2-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63909362
2-Cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)propanoic acid
CID 63909565
2-Cyclopropyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909757
2-Cyclopropyl-2-(propan-2-ylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63909758
2-Cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63909761
2-Cyclopropyl-2-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63909956
2-Cyclopropyl-2-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910153
2-Cyclopropyl-2-(methylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910343
2-Cyclopropyl-2-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910346

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid (CID 63907041) is 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid is CNC(CN(C)C1CCN(C)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
The InChIKey is ULXFHDPWMFCAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-15-14(13(18)19,11-4-5-11)10-17(3)12-6-8-16(2)9-7-12/h11-12,15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid?
2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid has a molecular weight of 269.39 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 63907041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).