2-(4-formylpiperazin-1-yl)propanoic acid

C8H14N2O3 — CID 62316019

IUPAC2-(4-formylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(C=O)CC1
InChIInChI=1S/C8H14N2O3/c1-7(8(12)13)10-4-2-9(6-11)3-5-10/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyIBOOWVCIXLHNTD-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.77
Rot. Bonds3

About 2-(4-formylpiperazin-1-yl)propanoic acid

2-(4-formylpiperazin-1-yl)propanoic acid (PubChem CID 62316019) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)propanoic acid
PubChem CID62316019
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(4-formylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(C=O)CC1
InChIInChI=1S/C8H14N2O3/c1-7(8(12)13)10-4-2-9(6-11)3-5-10/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyIBOOWVCIXLHNTD-UHFFFAOYSA-N
XLogP-0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(4-formylpiperazin-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

alpha-Ethyl-4-methyl-2,3-dioxo-1-piperazineacetic acid
CID 20955814
1,4-Diformyl-2-piperazinecarboxylic acid
CID 12261412
2-[4-(3,3,3-Trifluoropropanoyl)piperazin-1-yl]propanoic acid
CID 62317587
2-[4-(Trifluoroacetyl)piperazin-1-yl]propanoic acid
CID 62318127
2-[4-(2,2-Difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
2-[2-Oxo-4-(trifluoroacetyl)piperazin-1-yl]propanoic acid
CID 165936195
2-[4-(1-Carboxyethyl)piperazin-1-yl]propanoic acid
CID 19080632
Ethyl 2-(4-formylpiperazin-1-yl)propanoate
CID 20030311
2-(4-Methylpiperazin-1-yl)propanoic acid
CID 20649699
2-[2-Isocyanoethyl(methoxycarbonyl)amino]propanoic acid
CID 20682368
2-(4-Acetyl-3-formylpiperazin-1-yl)acetic acid
CID 20743628
2-(2,3-Dioxo-4-propan-2-ylpiperazin-1-yl)-2-methylpropanoic acid
CID 21061921

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-formylpiperazin-1-yl)propanoic acid (CID 62316019) is 2-(4-formylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCN(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)propanoic acid?
The InChIKey is IBOOWVCIXLHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-7(8(12)13)10-4-2-9(6-11)3-5-10/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(4-formylpiperazin-1-yl)propanoic acid?
2-(4-formylpiperazin-1-yl)propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 62316019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).