(oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

C7H12NO5- — CID 58619915

IUPAC(oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
SMILESCC(CO)(CO)C(=O)OCN[C-]=O
InChIInChI=1S/C7H12NO5/c1-7(2-9,3-10)6(12)13-5-8-4-11/h9-10H,2-3,5H2,1H3,(H,8,11)/q-1
InChIKeyXUVIDCKYMXCHKX-UHFFFAOYSA-N
MW190.17 g/mol
LogP-1.87
Rot. Bonds6

About (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

(oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (PubChem CID 58619915) has the molecular formula C7H12NO5- and a molecular weight of 190.17 g/mol. Its IUPAC name is (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.

Molecular Properties

Compound Name(oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
PubChem CID58619915
Molecular FormulaC7H12NO5-
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
SMILESCC(CO)(CO)C(=O)OCN[C-]=O
InChIInChI=1S/C7H12NO5/c1-7(2-9,3-10)6(12)13-5-8-4-11/h9-10H,2-3,5H2,1H3,(H,8,11)/q-1
InChIKeyXUVIDCKYMXCHKX-UHFFFAOYSA-N
XLogP-1.87
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Tris(hydroxymethyl) aminomethaneacetate)
CID 57225690
3-(Methylaminomethoxy)propanoic acid
CID 20779380
[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl-(oxomethyl)azanium
CID 21026959
(3-hydroxy-2,2-dimethylpropyl) N-methylcarbamate
CID 34180528
3-(Ethylcarbamoyloxy)-2-methylpropanoic acid
CID 54232030
2-Methyl-3-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)propanoate
CID 57915010
2-Methyl-3-(methylcarbamoyloxy)-2-(methylcarbamoyloxymethyl)propanoic acid
CID 57915011
Methyl 3-(methylcarbamoyloxy)propanoate
CID 58766338
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] N-methylcarbamate
CID 87800559
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] N-methylcarbamate
CID 87800776
3-(Methylcarbamoyloxy)propanoic acid
CID 88635151
(2-formyl-3-hydroxypropyl) N-methylcarbamate
CID 91070764

Frequently Asked Questions

What is the IUPAC name of (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The IUPAC name of (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (CID 58619915) is (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.
What is the SMILES notation for (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The canonical SMILES for (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate is CC(CO)(CO)C(=O)OCN[C-]=O.
What is the InChIKey of (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The InChIKey is XUVIDCKYMXCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO5/c1-7(2-9,3-10)6(12)13-5-8-4-11/h9-10H,2-3,5H2,1H3,(H,8,11)/q-1.
What are the key properties of (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
(oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate has a molecular weight of 190.17 g/mol, XLogP of -1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate is sourced from PubChem (CID 58619915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).