4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid

C11H20N2O5 — CID 114011847

IUPAC4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
SMILESCCOC(=O)N1CCN(CC(O)CC(=O)O)CC1
InChIInChI=1S/C11H20N2O5/c1-2-18-11(17)13-5-3-12(4-6-13)8-9(14)7-10(15)16/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyNVNLGCIEVMSCLP-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.40
Rot. Bonds5

About 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid

4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid (PubChem CID 114011847) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
PubChem CID114011847
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
SMILESCCOC(=O)N1CCN(CC(O)CC(=O)O)CC1
InChIInChI=1S/C11H20N2O5/c1-2-18-11(17)13-5-3-12(4-6-13)8-9(14)7-10(15)16/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyNVNLGCIEVMSCLP-UHFFFAOYSA-N
XLogP-0.40
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 107877031
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
CID 107877194
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate
CID 112516726

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid (CID 114011847) is 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid is CCOC(=O)N1CCN(CC(O)CC(=O)O)CC1.
What is the InChIKey of 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid?
The InChIKey is NVNLGCIEVMSCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-18-11(17)13-5-3-12(4-6-13)8-9(14)7-10(15)16/h9,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid?
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid is sourced from PubChem (CID 114011847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).