2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C13H23N3O5 — CID 102658780

IUPAC2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCCCN(CC(N)=O)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-4-5-15(6-10(14)17)12(20)16-8-13(2,9-16)21-7-11(18)19/h3-9H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeySFRKSFLZADYKQU-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.13
Rot. Bonds8

About 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658780) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658780
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCCCN(CC(N)=O)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-4-5-15(6-10(14)17)12(20)16-8-13(2,9-16)21-7-11(18)19/h3-9H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeySFRKSFLZADYKQU-UHFFFAOYSA-N
XLogP-0.13
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-Amino-2-oxoethyl)-butylamino]-2-oxoethoxy]acetic acid
CID 61326910
2-[2-[[(2-Amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-[2-[[(2-Amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463158
2-[2-[[[2-(Dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]ethoxy]acetic acid
CID 79463251
2-[2-[[2-Oxo-2-(propylamino)ethyl]carbamoylamino]ethoxy]acetic acid
CID 79463627
2-[2-[[Methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463831
2-[2-[[Methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79464031
2-[2-[[[2-(Methylamino)-2-oxoethyl]-propylcarbamoyl]amino]ethoxy]acetic acid
CID 79464402
2-[1-[2-(2,2-Dimethylpropanoylamino)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657182
2-[1-[2-(Carbamoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657209
2-[1-[2-(Carbamoylamino)-3-methylbutanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657257
2-[1-[2-(2,2-Dimethylpropanoylamino)propanoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657259

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658780) is 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is CCCCN(CC(N)=O)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is SFRKSFLZADYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-4-5-15(6-10(14)17)12(20)16-8-13(2,9-16)21-7-11(18)19/h3-9H2,1-2H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).