4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one

C8H15N3O2 — CID 63606378

IUPAC4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)[C@H](C)N
InChIInChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-3-10-7(12)6(11)2/h5-6H,3-4,9H2,1-2H3,(H,10,12)/t5-,6?/m0/s1
InChIKeyAPBKUJCQNDCEEL-ZBHICJROSA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds1

About 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one

4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one (PubChem CID 63606378) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
PubChem CID63606378
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)[C@H](C)N
InChIInChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-3-10-7(12)6(11)2/h5-6H,3-4,9H2,1-2H3,(H,10,12)/t5-,6?/m0/s1
InChIKeyAPBKUJCQNDCEEL-ZBHICJROSA-N
XLogP-1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 104908462
4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 63605877
4-acetyl-3-methylpiperazin-2-one
CID 13190467
N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
CID 77000593
4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63373720
4-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-3-methylpiperazin-2-one
CID 63606215
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
3-(2-methyl-3-oxopiperazin-1-yl)-3-oxo-2-phenylpropanethioamide
CID 63607452
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one (CID 63606378) is 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)[C@H](C)N.
What is the InChIKey of 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one?
The InChIKey is APBKUJCQNDCEEL-ZBHICJROSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(9)8(13)11-4-3-10-7(12)6(11)2/h5-6H,3-4,9H2,1-2H3,(H,10,12)/t5-,6?/m0/s1.
What are the key properties of 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one?
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one has a molecular weight of 185.23 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63606378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).