N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide

C6H12N2O4 — CID 3792964

IUPACN-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide
SMILESCC(=O)CN(CC(O)CO)N=O
InChIInChI=1S/C6H12N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h6,9,11H,2-4H2,1H3
InChIKeyLUVOLNSYNLKFKR-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.09
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide

N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide (PubChem CID 3792964) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide
PubChem CID3792964
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide
SMILESCC(=O)CN(CC(O)CO)N=O
InChIInChI=1S/C6H12N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h6,9,11H,2-4H2,1H3
InChIKeyLUVOLNSYNLKFKR-UHFFFAOYSA-N
XLogP-1.09
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
CID 3794522
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073
1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol
CID 160542041
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide
CID 154525602
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
CID 158317116
potassium;propane-1,2,3-triol;acetate
CID 23700856
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
CID 172967660
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide (CID 3792964) is N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide is CC(=O)CN(CC(O)CO)N=O.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide?
The InChIKey is LUVOLNSYNLKFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-5(10)2-8(7-12)3-6(11)4-9/h6,9,11H,2-4H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide?
N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide has a molecular weight of 176.17 g/mol, XLogP of -1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide is sourced from PubChem (CID 3792964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).