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

C11H20N2O3 — CID 64604208

IUPAC2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
SMILESCCCC(C)(N)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-4-11(2,12)10(16)13-6-8(7-13)5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyRCZVEGLCGCITGN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds5

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

2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid (PubChem CID 64604208) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
PubChem CID64604208
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
SMILESCCCC(C)(N)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-3-4-11(2,12)10(16)13-6-8(7-13)5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyRCZVEGLCGCITGN-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
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CID 119671353
2-amino-2-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
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2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid (CID 64604208) is 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid is CCCC(C)(N)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid?
The InChIKey is RCZVEGLCGCITGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-11(2,12)10(16)13-6-8(7-13)5-9(14)15/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid?
2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).