N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide

C6H12N2O4 — CID 157119375

IUPACN-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide
SMILESNC(=O)N(CCCO)C(=O)CO
InChIInChI=1S/C6H12N2O4/c7-6(12)8(2-1-3-9)5(11)4-10/h9-10H,1-4H2,(H2,7,12)
InChIKeyAHUCSSNICBAMHP-UHFFFAOYSA-N
MW176.17 g/mol
LogP-1.73
Rot. Bonds4

About N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide

N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide (PubChem CID 157119375) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide
PubChem CID157119375
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide
SMILESNC(=O)N(CCCO)C(=O)CO
InChIInChI=1S/C6H12N2O4/c7-6(12)8(2-1-3-9)5(11)4-10/h9-10H,1-4H2,(H2,7,12)
InChIKeyAHUCSSNICBAMHP-UHFFFAOYSA-N
XLogP-1.73
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide (CID 157119375) is N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide is NC(=O)N(CCCO)C(=O)CO.
What is the InChIKey of N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide?
The InChIKey is AHUCSSNICBAMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c7-6(12)8(2-1-3-9)5(11)4-10/h9-10H,1-4H2,(H2,7,12).
What are the key properties of N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide?
N-carbamoyl-2-hydroxy-N-(3-hydroxypropyl)acetamide has a molecular weight of 176.17 g/mol, XLogP of -1.73, 4 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 157119375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).