3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate

C8H15N3O3 — CID 7023645

IUPAC3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate
SMILESNC(=O)N1CC[NH+](CCC(=O)[O-])CC1
InChIInChI=1S/C8H15N3O3/c9-8(14)11-5-3-10(4-6-11)2-1-7(12)13/h1-6H2,(H2,9,14)(H,12,13)
InChIKeyBYRNAKSDEMRQPZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP-3.59
Rot. Bonds3

About 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate

3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate (PubChem CID 7023645) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate.

Molecular Properties

Compound Name3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate
PubChem CID7023645
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate
SMILESNC(=O)N1CC[NH+](CCC(=O)[O-])CC1
InChIInChI=1S/C8H15N3O3/c9-8(14)11-5-3-10(4-6-11)2-1-7(12)13/h1-6H2,(H2,9,14)(H,12,13)
InChIKeyBYRNAKSDEMRQPZ-UHFFFAOYSA-N
XLogP-3.59
TPSA90.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-3.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propylpiperazin-1-ium-1-yl)propanoate
CID 29040460
3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
CID 7059197
5-(4-ethylpiperazin-1-ium-1-yl)pentanoate
CID 28972297
4-(3-aminopropanoyl)piperazine-1-carboxamide
CID 2756537
1-(3-amino-3-oxopropyl)piperidin-1-ium-4-carboxylate
CID 7219922
3-(4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)propanoate
CID 7016148
4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butanoate
CID 28942731
3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanoate
CID 42177125
ethane;pyrrolidine-1-carboxamide
CID 144643607
aziridine;aziridine-1-carboxamide
CID 157196797
lithium;hydride;pyrrolidine-1-carboxamide
CID 173065228
4-(aminomethyl)piperazine-1-carboxamide
CID 22006108

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate?
The IUPAC name of 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate (CID 7023645) is 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate.
What is the SMILES notation for 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate?
The canonical SMILES for 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate is NC(=O)N1CC[NH+](CCC(=O)[O-])CC1.
What is the InChIKey of 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate?
The InChIKey is BYRNAKSDEMRQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c9-8(14)11-5-3-10(4-6-11)2-1-7(12)13/h1-6H2,(H2,9,14)(H,12,13).
What are the key properties of 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate?
3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate has a molecular weight of 201.23 g/mol, XLogP of -3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylpiperazin-1-ium-1-yl)propanoate is sourced from PubChem (CID 7023645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).