(2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide

C12H22N2O3 — CID 56916893

IUPAC(2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide
SMILESCC(=O)N[C@H](C)C(=O)N(C)CC1(CO)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(13-10(2)16)11(17)14(3)7-12(8-15)5-4-6-12/h9,15H,4-8H2,1-3H3,(H,13,16)/t9-/m1/s1
InChIKeyZJUMKKXGEGTRHZ-SECBINFHSA-N
MW242.32 g/mol
LogP0.13
Rot. Bonds5

About (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide

(2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide (PubChem CID 56916893) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide
PubChem CID56916893
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide
SMILESCC(=O)N[C@H](C)C(=O)N(C)CC1(CO)CCC1
InChIInChI=1S/C12H22N2O3/c1-9(13-10(2)16)11(17)14(3)7-12(8-15)5-4-6-12/h9,15H,4-8H2,1-3H3,(H,13,16)/t9-/m1/s1
InChIKeyZJUMKKXGEGTRHZ-SECBINFHSA-N
XLogP0.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide (CID 56916893) is (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide is CC(=O)N[C@H](C)C(=O)N(C)CC1(CO)CCC1.
What is the InChIKey of (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide?
The InChIKey is ZJUMKKXGEGTRHZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(13-10(2)16)11(17)14(3)7-12(8-15)5-4-6-12/h9,15H,4-8H2,1-3H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide?
(2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 56916893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).