N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide

C7H14N2O5 — CID 174304122

IUPACN-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide
SMILESCCCN(C(=O)CO)C(=O)NC(O)O
InChIInChI=1S/C7H14N2O5/c1-2-3-9(5(11)4-10)6(12)8-7(13)14/h7,10,13-14H,2-4H2,1H3,(H,8,12)
InChIKeyRJICOSHORRROPU-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.80
Rot. Bonds4

About N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide

N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide (PubChem CID 174304122) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide.

Molecular Properties

Compound NameN-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide
PubChem CID174304122
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC NameN-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide
SMILESCCCN(C(=O)CO)C(=O)NC(O)O
InChIInChI=1S/C7H14N2O5/c1-2-3-9(5(11)4-10)6(12)8-7(13)14/h7,10,13-14H,2-4H2,1H3,(H,8,12)
InChIKeyRJICOSHORRROPU-UHFFFAOYSA-N
XLogP-1.80
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide?
The IUPAC name of N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide (CID 174304122) is N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide.
What is the SMILES notation for N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide?
The canonical SMILES for N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide is CCCN(C(=O)CO)C(=O)NC(O)O.
What is the InChIKey of N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide?
The InChIKey is RJICOSHORRROPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-2-3-9(5(11)4-10)6(12)8-7(13)14/h7,10,13-14H,2-4H2,1H3,(H,8,12).
What are the key properties of N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide?
N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide has a molecular weight of 206.20 g/mol, XLogP of -1.80, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dihydroxymethylcarbamoyl)-2-hydroxy-N-propylacetamide is sourced from PubChem (CID 174304122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).