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

Name: 2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₅N₃O₂ — CID 63926025

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
PubChem CID	63926025
Molecular Formula	C₁₃H₂₅N₃O₂
Molecular Weight	255.36 g/mol
Exact Mass	255.19
IUPAC Name	2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
SMILES	CN1CCN(CC(N)(C(=O)O)C2CC2)CC1(C)C
InChI	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)
InChIKey	GMEMLDBUSCMKEU-UHFFFAOYSA-N
XLogP	0.20
TPSA	69.80 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 63926025 — identifiers, structure, computed properties (public domain)

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