(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid

C12H20N2O3 — CID 129495739

IUPAC(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H20N2O3/c1-2-10(12(16)17)13-5-7-14(8-6-13)11(15)9-3-4-9/h9-10H,2-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyDVHWZZGAEJJMCM-SNVBAGLBSA-N
MW240.30 g/mol
LogP0.40
Rot. Bonds4

About (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid

(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid (PubChem CID 129495739) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid
PubChem CID129495739
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H20N2O3/c1-2-10(12(16)17)13-5-7-14(8-6-13)11(15)9-3-4-9/h9-10H,2-8H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeyDVHWZZGAEJJMCM-SNVBAGLBSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic 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

2-(azocan-1-yl)butanoic acid
CID 43808973
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
2-(aminomethyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butan-1-one
CID 65229983
2-[4-(oxane-3-carbonyl)piperazin-1-yl]butanethioamide
CID 63340411
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid (CID 129495739) is (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid is CC[C@H](C(=O)O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid?
The InChIKey is DVHWZZGAEJJMCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-10(12(16)17)13-5-7-14(8-6-13)11(15)9-3-4-9/h9-10H,2-8H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid?
(2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 129495739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).