2-amino-N-propan-2-ylacetamide

C5H12N2O — CID 533849

IUPAC2-amino-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN
InChIInChI=1S/C5H12N2O/c1-4(2)7-5(8)3-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyLKCKUYRPMPUHTD-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.53
Rot. Bonds2

About 2-amino-N-propan-2-ylacetamide

2-amino-N-propan-2-ylacetamide (PubChem CID 533849) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-amino-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-propan-2-ylacetamide
PubChem CID533849
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name2-amino-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN
InChIInChI=1S/C5H12N2O/c1-4(2)7-5(8)3-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKeyLKCKUYRPMPUHTD-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-propan-2-ylacetamide (CID 533849) is 2-amino-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-propan-2-ylacetamide is CC(C)NC(=O)CN.
What is the InChIKey of 2-amino-N-propan-2-ylacetamide?
The InChIKey is LKCKUYRPMPUHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-4(2)7-5(8)3-6/h4H,3,6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-N-propan-2-ylacetamide?
2-amino-N-propan-2-ylacetamide has a molecular weight of 116.16 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propan-2-ylacetamide is sourced from PubChem (CID 533849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).