2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid

C15H29N3O2 — CID 63910516

IUPAC2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
SMILESCCNC(CN1CCC(N(C)C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H29N3O2/c1-4-16-15(14(19)20,12-5-6-12)11-18-9-7-13(8-10-18)17(2)3/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeySYWCTFHJCXQPJK-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.86
Rot. Bonds7

About 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid

2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid (PubChem CID 63910516) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
PubChem CID63910516
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid
SMILESCCNC(CN1CCC(N(C)C)CC1)(C(=O)O)C1CC1
InChIInChI=1S/C15H29N3O2/c1-4-16-15(14(19)20,12-5-6-12)11-18-9-7-13(8-10-18)17(2)3/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeySYWCTFHJCXQPJK-UHFFFAOYSA-N
XLogP0.86
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)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-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)propanoic acid
CID 63927035
2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoic acid
CID 63905754
2-cyclopropyl-2-(ethylamino)-3-(4-methylazepan-1-yl)propanoic acid
CID 63927458
2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(ethylamino)propanoic acid
CID 63905545
2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)propanoic acid
CID 103538194
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63927044
2-cyclopropyl-2-(propylamino)-3-pyrrolidin-1-ylpropanoic acid
CID 63907207
2-cyclopropyl-2-(cyclopropylamino)-3-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 63911504
2-cyclopropyl-3-(4-methylazepan-1-yl)-2-(propylamino)propanoic acid
CID 63928067
2-cyclopropyl-2-(methylamino)-3-(4-propylpiperidin-1-yl)propanoic acid
CID 63927012
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propanamide
CID 81475312

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid (CID 63910516) is 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid is CCNC(CN1CCC(N(C)C)CC1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid?
The InChIKey is SYWCTFHJCXQPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-16-15(14(19)20,12-5-6-12)11-18-9-7-13(8-10-18)17(2)3/h12-13,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid?
2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid has a molecular weight of 283.42 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)propanoic acid is sourced from PubChem (CID 63910516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).