methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate

C5H10N2O4 — CID 130011238

IUPACmethyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)N(C)O
InChIInChI=1S/C5H10N2O4/c1-7(10)5(9)6-3-4(8)11-2/h10H,3H2,1-2H3,(H,6,9)
InChIKeyXGRWBYYUGZZQEN-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.81
Rot. Bonds2

About methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate

methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate (PubChem CID 130011238) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate
PubChem CID130011238
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Namemethyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)N(C)O
InChIInChI=1S/C5H10N2O4/c1-7(10)5(9)6-3-4(8)11-2/h10H,3H2,1-2H3,(H,6,9)
InChIKeyXGRWBYYUGZZQEN-UHFFFAOYSA-N
XLogP-0.81
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate (CID 130011238) is methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate is COC(=O)CNC(=O)N(C)O.
What is the InChIKey of methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate?
The InChIKey is XGRWBYYUGZZQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-7(10)5(9)6-3-4(8)11-2/h10H,3H2,1-2H3,(H,6,9).
What are the key properties of methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate?
methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate has a molecular weight of 162.15 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate is sourced from PubChem (CID 130011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).