2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid

C9H17N3O3 — CID 107142446

IUPAC2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)(NC1(CC(=O)O)CNC1)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-8(2,7(10)15)12-9(3-6(13)14)4-11-5-9/h11-12H,3-5H2,1-2H3,(H2,10,15)(H,13,14)
InChIKeyWRBAVTMXLVSPNV-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.34
Rot. Bonds5

About 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid

2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid (PubChem CID 107142446) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid
PubChem CID107142446
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid
SMILESCC(C)(NC1(CC(=O)O)CNC1)C(N)=O
InChIInChI=1S/C9H17N3O3/c1-8(2,7(10)15)12-9(3-6(13)14)4-11-5-9/h11-12H,3-5H2,1-2H3,(H2,10,15)(H,13,14)
InChIKeyWRBAVTMXLVSPNV-UHFFFAOYSA-N
XLogP-1.34
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
CID 107143014
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid
CID 107142821
2-[3-[2-fluoro-5-(trifluoromethyl)anilino]azetidin-3-yl]acetic acid
CID 107142669
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-(1-hydroxypentan-3-ylamino)azetidin-3-yl]acetic acid
CID 107143176
2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107143026

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid (CID 107142446) is 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid is CC(C)(NC1(CC(=O)O)CNC1)C(N)=O.
What is the InChIKey of 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid?
The InChIKey is WRBAVTMXLVSPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-8(2,7(10)15)12-9(3-6(13)14)4-11-5-9/h11-12H,3-5H2,1-2H3,(H2,10,15)(H,13,14).
What are the key properties of 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid?
2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid has a molecular weight of 215.25 g/mol, XLogP of -1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).