2-[bis(2-hydroxyacetyl)amino]propanamide

C7H12N2O5 — CID 141435220

IUPAC2-[bis(2-hydroxyacetyl)amino]propanamide
SMILESCC(C(N)=O)N(C(=O)CO)C(=O)CO
InChIInChI=1S/C7H12N2O5/c1-4(7(8)14)9(5(12)2-10)6(13)3-11/h4,10-11H,2-3H2,1H3,(H2,8,14)
InChIKeyPMCFJOUYCJJXPX-UHFFFAOYSA-N
MW204.18 g/mol
LogP-2.80
Rot. Bonds4

About 2-[bis(2-hydroxyacetyl)amino]propanamide

2-[bis(2-hydroxyacetyl)amino]propanamide (PubChem CID 141435220) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[bis(2-hydroxyacetyl)amino]propanamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyacetyl)amino]propanamide
PubChem CID141435220
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[bis(2-hydroxyacetyl)amino]propanamide
SMILESCC(C(N)=O)N(C(=O)CO)C(=O)CO
InChIInChI=1S/C7H12N2O5/c1-4(7(8)14)9(5(12)2-10)6(13)3-11/h4,10-11H,2-3H2,1H3,(H2,8,14)
InChIKeyPMCFJOUYCJJXPX-UHFFFAOYSA-N
XLogP-2.80
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-2.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyacetyl)amino]propanamide?
The IUPAC name of 2-[bis(2-hydroxyacetyl)amino]propanamide (CID 141435220) is 2-[bis(2-hydroxyacetyl)amino]propanamide.
What is the SMILES notation for 2-[bis(2-hydroxyacetyl)amino]propanamide?
The canonical SMILES for 2-[bis(2-hydroxyacetyl)amino]propanamide is CC(C(N)=O)N(C(=O)CO)C(=O)CO.
What is the InChIKey of 2-[bis(2-hydroxyacetyl)amino]propanamide?
The InChIKey is PMCFJOUYCJJXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-4(7(8)14)9(5(12)2-10)6(13)3-11/h4,10-11H,2-3H2,1H3,(H2,8,14).
What are the key properties of 2-[bis(2-hydroxyacetyl)amino]propanamide?
2-[bis(2-hydroxyacetyl)amino]propanamide has a molecular weight of 204.18 g/mol, XLogP of -2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyacetyl)amino]propanamide is sourced from PubChem (CID 141435220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).