2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid

C13H25N3O2 — CID 63926025

IUPAC2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(N)(C(=O)O)C2CC2)CC1(C)C
InChIInChI=1S/C13H25N3O2/c1-12(2)8-16(7-6-15(12)3)9-13(14,11(17)18)10-4-5-10/h10H,4-9,14H2,1-3H3,(H,17,18)
InChIKeyGMEMLDBUSCMKEU-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid

2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid (PubChem CID 63926025) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
PubChem CID63926025
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
SMILESCN1CCN(CC(N)(C(=O)O)C2CC2)CC1(C)C
InChIInChI=1S/C13H25N3O2/c1-12(2)8-16(7-6-15(12)3)9-13(14,11(17)18)10-4-5-10/h10H,4-9,14H2,1-3H3,(H,17,18)
InChIKeyGMEMLDBUSCMKEU-UHFFFAOYSA-N
XLogP0.20
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)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-2-(propylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926841
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63927047
2-amino-3-(4-tert-butylpiperazin-1-yl)-2-cyclopropylpropanoic acid
CID 63909663
2-amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 63925019
2-amino-2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790408
2-amino-2-cyclopropyl-3-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 63909774
2-cyclopropyl-2-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-ol
CID 64790209
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 79810631
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
2-amino-2-cyclopropyl-3-(3-ethoxypiperidin-1-yl)propanoic acid
CID 63916274

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid (CID 63926025) is 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid is CN1CCN(CC(N)(C(=O)O)C2CC2)CC1(C)C.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid?
The InChIKey is GMEMLDBUSCMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2)8-16(7-6-15(12)3)9-13(14,11(17)18)10-4-5-10/h10H,4-9,14H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid?
2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 63926025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).