2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid

C11H20N2O3 — CID 116682344

IUPAC2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
SMILESCC(CN)CC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7(4-12)3-10(14)13-5-9(6-13)8(2)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyQDMVJKKGPACGDC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid

2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid (PubChem CID 116682344) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
PubChem CID116682344
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
SMILESCC(CN)CC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-7(4-12)3-10(14)13-5-9(6-13)8(2)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyQDMVJKKGPACGDC-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
4-amino-3-methyl-1-(4-propan-2-ylazepan-1-yl)butan-1-one
CID 81079619
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
4-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 81087263
2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 103019290
2-[1-[5-(aminomethyl)furan-2-carbonyl]azetidin-3-yl]propanoic acid
CID 116682263

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid (CID 116682344) is 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid is CC(CN)CC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
The InChIKey is QDMVJKKGPACGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(4-12)3-10(14)13-5-9(6-13)8(2)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).