methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate

C9H15N3O4 — CID 107436041

IUPACmethyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H15N3O4/c1-5(9(15)16-2)12-8(14)6-3-11-7(13)4-10-6/h5-6,10H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyUNDSJRUIPAIAAX-UHFFFAOYSA-N
MW229.24 g/mol
LogP-2.25
Rot. Bonds3

About methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate

methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate (PubChem CID 107436041) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
PubChem CID107436041
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C9H15N3O4/c1-5(9(15)16-2)12-8(14)6-3-11-7(13)4-10-6/h5-6,10H,3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyUNDSJRUIPAIAAX-UHFFFAOYSA-N
XLogP-2.25
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-5-oxopiperazine-2-carboxamide
CID 107433403
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107437497
5-oxo-N-pentan-3-ylpiperazine-2-carboxamide
CID 107433338
N-[1-(4-fluorophenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107435694
5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
N-[1-(oxan-4-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 114115158
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]piperazine-2-carboxamide
CID 114158960
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437231
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107437229
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate (CID 107436041) is methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)C1CNC(=O)CN1.
What is the InChIKey of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate?
The InChIKey is UNDSJRUIPAIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-5(9(15)16-2)12-8(14)6-3-11-7(13)4-10-6/h5-6,10H,3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate?
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate has a molecular weight of 229.24 g/mol, XLogP of -2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-oxopiperazine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 107436041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).