2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid

C10H17NO4 — CID 123874250

IUPAC2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)C1CN(CC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)7-4-11(5-7)6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyNBDXTUGXAKNCQX-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds3

About 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid

2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid (PubChem CID 123874250) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid
PubChem CID123874250
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)C1CN(CC(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)7-4-11(5-7)6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyNBDXTUGXAKNCQX-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butylazetidin-1-yl)acetic acid
CID 79687035
tert-butyl cyclopropanecarboxylate
CID 157212632
2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
CID 83995389
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl 1-(oxiran-2-ylmethyl)pyrrolidine-3-carboxylate
CID 71628648
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
CID 112544777
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 141065413

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid (CID 123874250) is 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid is CC(C)(C)OC(=O)C1CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid?
The InChIKey is NBDXTUGXAKNCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)7-4-11(5-7)6-8(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid?
2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-1-yl]acetic acid is sourced from PubChem (CID 123874250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).