2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid

C11H19N3O4 — CID 106097982

IUPAC2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)(CC(N)=O)NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-11(2,4-8(12)15)13-10(18)14-5-7(6-14)3-9(16)17/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyJNOJNMYJBFYRNQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.24
Rot. Bonds5

About 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 106097982) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID106097982
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)(CC(N)=O)NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-11(2,4-8(12)15)13-10(18)14-5-7(6-14)3-9(16)17/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyJNOJNMYJBFYRNQ-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 106097890
N-(4-amino-2-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxamide
CID 106096157
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
CID 79555425
2-[1-(3-amino-2,2,3-trimethylbutanoyl)azetidin-3-yl]acetic acid
CID 65266708
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
2-[1-[(4,4-dimethylcyclohexyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616083
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 64700228
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62061706

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid (CID 106097982) is 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid is CC(C)(CC(N)=O)NC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is JNOJNMYJBFYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2,4-8(12)15)13-10(18)14-5-7(6-14)3-9(16)17/h7H,3-6H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106097982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).