2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid

C14H25N3O3 — CID 63615863

IUPAC2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)NC(C)(C(=O)O)C2CC2)CC1(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2)9-17(8-7-16(13)4)12(20)15-14(3,11(18)19)10-5-6-10/h10H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyUEHTZRBIHQYFCX-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds3

About 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 63615863) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID63615863
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCN1CCN(C(=O)NC(C)(C(=O)O)C2CC2)CC1(C)C
InChIInChI=1S/C14H25N3O3/c1-13(2)9-17(8-7-16(13)4)12(20)15-14(3,11(18)19)10-5-6-10/h10H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyUEHTZRBIHQYFCX-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid (CID 63615863) is 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid is CN1CCN(C(=O)NC(C)(C(=O)O)C2CC2)CC1(C)C.
What is the InChIKey of 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is UEHTZRBIHQYFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-13(2)9-17(8-7-16(13)4)12(20)15-14(3,11(18)19)10-5-6-10/h10H,5-9H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63615863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).