2-(4-propan-2-ylpiperazin-1-yl)propanoic acid

C10H20N2O2 — CID 43585425

IUPAC2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
SMILESCC(C)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-4-6-12(7-5-11)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyTUOZVBYJZAPHQP-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid

2-(4-propan-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 43585425) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
PubChem CID43585425
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
SMILESCC(C)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(2)11-4-6-12(7-5-11)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyTUOZVBYJZAPHQP-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-propan-2-ylpiperazin-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

(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-(4-formylpiperazin-1-yl)propanoic acid
CID 62316019
3-methyl-2-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 43585421
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid (CID 43585425) is 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid is CC(C)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is TUOZVBYJZAPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(2)11-4-6-12(7-5-11)9(3)10(13)14/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid?
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 43585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).