[(2-acetamidoacetyl)amino]methyl acetate

C7H12N2O4 — CID 126495792

IUPAC[(2-acetamidoacetyl)amino]methyl acetate
SMILESCC(=O)NCC(=O)NCOC(C)=O
InChIInChI=1S/C7H12N2O4/c1-5(10)8-3-7(12)9-4-13-6(2)11/h3-4H2,1-2H3,(H,8,10)(H,9,12)
InChIKeyUESUGNRRCRSHFJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.24
Rot. Bonds4

About [(2-acetamidoacetyl)amino]methyl acetate

[(2-acetamidoacetyl)amino]methyl acetate (PubChem CID 126495792) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is [(2-acetamidoacetyl)amino]methyl acetate.

Molecular Properties

Compound Name[(2-acetamidoacetyl)amino]methyl acetate
PubChem CID126495792
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[(2-acetamidoacetyl)amino]methyl acetate
SMILESCC(=O)NCC(=O)NCOC(C)=O
InChIInChI=1S/C7H12N2O4/c1-5(10)8-3-7(12)9-4-13-6(2)11/h3-4H2,1-2H3,(H,8,10)(H,9,12)
InChIKeyUESUGNRRCRSHFJ-UHFFFAOYSA-N
XLogP-1.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

fermium;[[2-(oxomethylamino)acetyl]amino]methyl acetate
CID 168986451
2-[[[2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 175851403
2-acetamido-N-(2-amino-2-methylpropyl)acetamide
CID 81482471
(hexanoylamino)methyl acetate
CID 20979306
methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
CID 134741415
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
[[2-[[2-[[2-[4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]methyl acetate
CID 174291535
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
2-acetamido-N-[2-(ethylamino)ethyl]acetamide
CID 62657470
methyl 5-[(2-acetamidoacetyl)amino]-3-oxopentanoate
CID 102351837
2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
CID 143901890
3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067

Frequently Asked Questions

What is the IUPAC name of [(2-acetamidoacetyl)amino]methyl acetate?
The IUPAC name of [(2-acetamidoacetyl)amino]methyl acetate (CID 126495792) is [(2-acetamidoacetyl)amino]methyl acetate.
What is the SMILES notation for [(2-acetamidoacetyl)amino]methyl acetate?
The canonical SMILES for [(2-acetamidoacetyl)amino]methyl acetate is CC(=O)NCC(=O)NCOC(C)=O.
What is the InChIKey of [(2-acetamidoacetyl)amino]methyl acetate?
The InChIKey is UESUGNRRCRSHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-5(10)8-3-7(12)9-4-13-6(2)11/h3-4H2,1-2H3,(H,8,10)(H,9,12).
What are the key properties of [(2-acetamidoacetyl)amino]methyl acetate?
[(2-acetamidoacetyl)amino]methyl acetate has a molecular weight of 188.18 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-acetamidoacetyl)amino]methyl acetate is sourced from PubChem (CID 126495792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).