4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride

C11H20ClN3O2 — CID 75495697

IUPAC4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
SMILESCC[C@H](N)C(=O)N1CCN(C2CC2)C(=O)C1.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-2-9(12)11(16)13-5-6-14(8-3-4-8)10(15)7-13;/h8-9H,2-7,12H2,1H3;1H/t9-;/m0./s1
InChIKeyUQGPTMAKVFFEGQ-FVGYRXGTSA-N
MW261.75 g/mol
LogP-0.02
Rot. Bonds3

About 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride

4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride (PubChem CID 75495697) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
PubChem CID75495697
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
SMILESCC[C@H](N)C(=O)N1CCN(C2CC2)C(=O)C1.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-2-9(12)11(16)13-5-6-14(8-3-4-8)10(15)7-13;/h8-9H,2-7,12H2,1H3;1H/t9-;/m0./s1
InChIKeyUQGPTMAKVFFEGQ-FVGYRXGTSA-N
XLogP-0.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711
4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
CID 110873293
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-cyclohexylpiperazin-2-one
CID 118775809
4-[3-amino-2-(4-fluorophenyl)propanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 120633509
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
CID 97321014
4-[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]-1-cyclopropylpiperazin-2-one
CID 119788597
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
4-[(2S)-2-aminobutanoyl]piperazin-2-one
CID 79025324
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
4-(2-aminopentanoyl)-1-methylpiperazin-2-one
CID 64681612

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride (CID 75495697) is 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride is CC[C@H](N)C(=O)N1CCN(C2CC2)C(=O)C1.Cl.
What is the InChIKey of 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
The InChIKey is UQGPTMAKVFFEGQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-2-9(12)11(16)13-5-6-14(8-3-4-8)10(15)7-13;/h8-9H,2-7,12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride?
4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 75495697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).