2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate

C8H13N3O4 — CID 175102268

IUPAC2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate
SMILESC[C@H]1CN(CCOC(N)=O)C(=O)C(=O)N1
InChIInChI=1S/C8H13N3O4/c1-5-4-11(2-3-15-8(9)14)7(13)6(12)10-5/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)/t5-/m0/s1
InChIKeySEPPPKIHVDEUTC-YFKPBYRVSA-N
MW215.21 g/mol
LogP-1.57
Rot. Bonds3

About 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate

2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate (PubChem CID 175102268) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate
PubChem CID175102268
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate
SMILESC[C@H]1CN(CCOC(N)=O)C(=O)C(=O)N1
InChIInChI=1S/C8H13N3O4/c1-5-4-11(2-3-15-8(9)14)7(13)6(12)10-5/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)/t5-/m0/s1
InChIKeySEPPPKIHVDEUTC-YFKPBYRVSA-N
XLogP-1.57
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-methoxyethyl)-5,6-dioxopiperazine-2-carboxylate
CID 119053586
4-methyl-1-(3-oxobutyl)imidazolidin-2-one
CID 116980530
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
1-(hydroxymethyl)-4-methylimidazolidin-2-one
CID 19917368
ethyl 4-methyl-5,6-dioxopiperazine-2-carboxylate
CID 119053580
1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one
CID 116978853
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(5R)-5-(aminomethyl)-1-methylpiperazine-2,3-dione
CID 58093274
5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione
CID 88989237
1-(2-methoxyethyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120602134
2-(2H-1,3-benzothiazol-3-yl)ethyl carbamate
CID 90141343

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate?
The IUPAC name of 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate (CID 175102268) is 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate.
What is the SMILES notation for 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate?
The canonical SMILES for 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate is C[C@H]1CN(CCOC(N)=O)C(=O)C(=O)N1.
What is the InChIKey of 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate?
The InChIKey is SEPPPKIHVDEUTC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-5-4-11(2-3-15-8(9)14)7(13)6(12)10-5/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)/t5-/m0/s1.
What are the key properties of 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate?
2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate has a molecular weight of 215.21 g/mol, XLogP of -1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate is sourced from PubChem (CID 175102268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).