2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C14H27N3O4 — CID 102658836

IUPAC2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC)CC(C)NC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H27N3O4/c1-5-16(6-2)7-11(3)15-13(20)17-9-14(4,10-17)21-8-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyIITSZUGOFGIKTD-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds8

About 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102658836) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102658836
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCN(CC)CC(C)NC(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H27N3O4/c1-5-16(6-2)7-11(3)15-13(20)17-9-14(4,10-17)21-8-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyIITSZUGOFGIKTD-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[3-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658850
2-[3-methyl-1-[(4-methyloxan-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102659156
2-[3-methyl-1-(2-methylbutan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658447
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149
2-[1-(2-methoxyethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658451
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-[3-methyl-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102658800
2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
CID 102659342
2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659048

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102658836) is 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is CCN(CC)CC(C)NC(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is IITSZUGOFGIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-5-16(6-2)7-11(3)15-13(20)17-9-14(4,10-17)21-8-12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102658836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).