N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide

C5H10N2O4 — CID 23461878

IUPACN-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide
SMILESCC(O)C(=O)N(CO)C(N)=O
InChIInChI=1S/C5H10N2O4/c1-3(9)4(10)7(2-8)5(6)11/h3,8-9H,2H2,1H3,(H2,6,11)
InChIKeyYZIONMUCALDXID-UHFFFAOYSA-N
MW162.14 g/mol
LogP-1.78
Rot. Bonds2

About N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide

N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide (PubChem CID 23461878) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide
PubChem CID23461878
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC NameN-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide
SMILESCC(O)C(=O)N(CO)C(N)=O
InChIInChI=1S/C5H10N2O4/c1-3(9)4(10)7(2-8)5(6)11/h3,8-9H,2H2,1H3,(H2,6,11)
InChIKeyYZIONMUCALDXID-UHFFFAOYSA-N
XLogP-1.78
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide?
The IUPAC name of N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide (CID 23461878) is N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide.
What is the SMILES notation for N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide?
The canonical SMILES for N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide is CC(O)C(=O)N(CO)C(N)=O.
What is the InChIKey of N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide?
The InChIKey is YZIONMUCALDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-3(9)4(10)7(2-8)5(6)11/h3,8-9H,2H2,1H3,(H2,6,11).
What are the key properties of N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide?
N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide has a molecular weight of 162.14 g/mol, XLogP of -1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-hydroxy-N-(hydroxymethyl)propanamide is sourced from PubChem (CID 23461878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).