2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide

C8H17N3O — CID 63760908

IUPAC2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(N)C1
InChIInChI=1S/C8H17N3O/c1-6(2)10-8(12)5-11-3-7(9)4-11/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyMPNMMHQAJKDBDT-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.85
Rot. Bonds3

About 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide

2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 63760908) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
PubChem CID63760908
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(N)C1
InChIInChI=1S/C8H17N3O/c1-6(2)10-8(12)5-11-3-7(9)4-11/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyMPNMMHQAJKDBDT-UHFFFAOYSA-N
XLogP-0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63761326
2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 65249916
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95301456
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120502572

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide (CID 63760908) is 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is MPNMMHQAJKDBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(2)10-8(12)5-11-3-7(9)4-11/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide?
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 171.24 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 63760908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).