(2-formyl-3-hydroxypropyl) N-methylcarbamate

C6H11NO4 — CID 91070764

IUPAC(2-formyl-3-hydroxypropyl) N-methylcarbamate
SMILESCNC(=O)OCC(C=O)CO
InChIInChI=1S/C6H11NO4/c1-7-6(10)11-4-5(2-8)3-9/h2,5,9H,3-4H2,1H3,(H,7,10)
InChIKeyFHCVPVIEMGMDQA-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.85
Rot. Bonds4

About (2-formyl-3-hydroxypropyl) N-methylcarbamate

(2-formyl-3-hydroxypropyl) N-methylcarbamate (PubChem CID 91070764) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2-formyl-3-hydroxypropyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-formyl-3-hydroxypropyl) N-methylcarbamate
PubChem CID91070764
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2-formyl-3-hydroxypropyl) N-methylcarbamate
SMILESCNC(=O)OCC(C=O)CO
InChIInChI=1S/C6H11NO4/c1-7-6(10)11-4-5(2-8)3-9/h2,5,9H,3-4H2,1H3,(H,7,10)
InChIKeyFHCVPVIEMGMDQA-UHFFFAOYSA-N
XLogP-0.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl-(oxomethyl)azanium
CID 21026959
3-(Methylcarbamoyloxy)propanoic acid
CID 88635151
(2-formyl-3-hydroxypropyl) N-ethylcarbamate
CID 91253334
[2-formyl-3-(methylcarbamoyloxy)propyl] N-methylcarbamate
CID 126554851
[3-hydroxy-2-(hydroxymethyl)propyl] N-methylcarbamate
CID 164140104
2-(Methoxymethyl)-2-methyl-3-(methylcarbamoyloxy)propanoic acid
CID 164788962
[2-formyl-3-(methylcarbamoyloxy)propyl] N-iodocarbamate
CID 166867765
methyl (2S)-2-methyl-3-(methylcarbamoyloxy)propanoate
CID 10035100
(Oxomethylamino)methyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 58619915
2-Methyl-3-[(methylcarbamoyl)oxy]propanoic acid
CID 71405715

Frequently Asked Questions

What is the IUPAC name of (2-formyl-3-hydroxypropyl) N-methylcarbamate?
The IUPAC name of (2-formyl-3-hydroxypropyl) N-methylcarbamate (CID 91070764) is (2-formyl-3-hydroxypropyl) N-methylcarbamate.
What is the SMILES notation for (2-formyl-3-hydroxypropyl) N-methylcarbamate?
The canonical SMILES for (2-formyl-3-hydroxypropyl) N-methylcarbamate is CNC(=O)OCC(C=O)CO.
What is the InChIKey of (2-formyl-3-hydroxypropyl) N-methylcarbamate?
The InChIKey is FHCVPVIEMGMDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7-6(10)11-4-5(2-8)3-9/h2,5,9H,3-4H2,1H3,(H,7,10).
What are the key properties of (2-formyl-3-hydroxypropyl) N-methylcarbamate?
(2-formyl-3-hydroxypropyl) N-methylcarbamate has a molecular weight of 161.16 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-3-hydroxypropyl) N-methylcarbamate is sourced from PubChem (CID 91070764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).