3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid

C11H21N3O3 — CID 61200863

IUPAC3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C)N1CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-9(2)13-5-7-14(8-6-13)11(17)12-4-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyFLEZJCOEDUZTRS-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds4

About 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid

3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 61200863) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID61200863
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC(C)N1CCN(C(=O)NCCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-9(2)13-5-7-14(8-6-13)11(17)12-4-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyFLEZJCOEDUZTRS-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-propan-2-ylpiperazine-1-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid (CID 61200863) is 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid is CC(C)N1CCN(C(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is FLEZJCOEDUZTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(2)13-5-7-14(8-6-13)11(17)12-4-3-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid?
3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61200863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).