3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide

C13H25N3O2 — CID 164632583

IUPAC3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)N[C@@H](C)CC(C)(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-9(6-13(3,4)5)14-12(18)16-7-11(8-16)15-10(2)17/h9,11H,6-8H2,1-5H3,(H,14,18)(H,15,17)/t9-/m0/s1
InChIKeyYWGHYEKFOHBVLA-VIFPVBQESA-N
MW255.36 g/mol
LogP1.34
Rot. Bonds3

About 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide

3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide (PubChem CID 164632583) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide
PubChem CID164632583
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)N[C@@H](C)CC(C)(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-9(6-13(3,4)5)14-12(18)16-7-11(8-16)15-10(2)17/h9,11H,6-8H2,1-5H3,(H,14,18)(H,15,17)/t9-/m0/s1
InChIKeyYWGHYEKFOHBVLA-VIFPVBQESA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide (CID 164632583) is 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)N[C@@H](C)CC(C)(C)C)C1.
What is the InChIKey of 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide?
The InChIKey is YWGHYEKFOHBVLA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(6-13(3,4)5)14-12(18)16-7-11(8-16)15-10(2)17/h9,11H,6-8H2,1-5H3,(H,14,18)(H,15,17)/t9-/m0/s1.
What are the key properties of 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide?
3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2S)-4,4-dimethylpentan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 164632583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).