methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate

C9H13N3O5 — CID 60638121

IUPACmethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N3O5/c1-5(8(15)17-2)11-6(13)4-12-7(14)3-10-9(12)16/h5H,3-4H2,1-2H3,(H,10,16)(H,11,13)
InChIKeyNUHYFGQDQRMVOR-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.78
Rot. Bonds4

About methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate

methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate (PubChem CID 60638121) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
PubChem CID60638121
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C9H13N3O5/c1-5(8(15)17-2)11-6(13)4-12-7(14)3-10-9(12)16/h5H,3-4H2,1-2H3,(H,10,16)(H,11,13)
InChIKeyNUHYFGQDQRMVOR-UHFFFAOYSA-N
XLogP-1.78
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81077582
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357583
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylbutyl)acetamide
CID 110686742
2-methylpropyl 2-(2,5-dioxoimidazolidin-1-yl)acetate
CID 137320376
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 77097457
N-[4-(4-bromophenyl)butan-2-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86828631
N-(3,4-dimethoxyphenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686783
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 43358379
(2S)-2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 103804710
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 86834346
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115877723
3-[[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81066774

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate (CID 60638121) is methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
The InChIKey is NUHYFGQDQRMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-5(8(15)17-2)11-6(13)4-12-7(14)3-10-9(12)16/h5H,3-4H2,1-2H3,(H,10,16)(H,11,13).
What are the key properties of methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate?
methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate has a molecular weight of 243.22 g/mol, XLogP of -1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60638121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).