2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C15H28N2O4 — CID 102658652

IUPAC2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(C)CN(CC(C)C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)6-16(7-12(3)4)14(20)17-9-15(5,10-17)21-8-13(18)19/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyMLGOOJAAIZMUNO-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds7

About 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658652) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658652
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(C)CN(CC(C)C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)6-16(7-12(3)4)14(20)17-9-15(5,10-17)21-8-13(18)19/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyMLGOOJAAIZMUNO-UHFFFAOYSA-N
XLogP1.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658780
2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283
2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658836
2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659048
2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658618
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658238
2-[2-methylpropyl-(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]acetic acid
CID 102744971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658652) is 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is CC(C)CN(CC(C)C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is MLGOOJAAIZMUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)6-16(7-12(3)4)14(20)17-9-15(5,10-17)21-8-13(18)19/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).