(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid

C9H16N2O4 — CID 51031410

IUPAC(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NN1CC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)10-11-5-4-6(11)7(12)13/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1
InChIKeyNETOQZYTYHUQLV-LURJTMIESA-N
MW216.24 g/mol
LogP0.58
Rot. Bonds2

About (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid

(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid (PubChem CID 51031410) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
PubChem CID51031410
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NN1CC[C@H]1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)10-11-5-4-6(11)7(12)13/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1
InChIKeyNETOQZYTYHUQLV-LURJTMIESA-N
XLogP0.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031273
cis-methyl (1S,2R)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carbonyl]amino]cyclobutane-1-carboxylate
CID 71734160
tert-butyl N-[(2S)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]azetidin-1-yl]carbamate
CID 51031274
(2S)-1-[(2R)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 153287072
tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
CID 144612195
(3S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolidine-3-carboxylic acid
CID 58501791
(2S)-1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]azetidine-2-carboxylic acid
CID 175131953
tert-butyl N-[(2S)-2-[[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]carbamate
CID 102589398
(2S)-1-tert-butoxycarbonylaziridine-2-carboxylic acid;lithium salt
CID 156758166
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
tert-butyl N-[(2S)-2-[(2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]carbamate
CID 68707477
tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
CID 57152882

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid (CID 51031410) is (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid is CC(C)(C)OC(=O)NN1CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid?
The InChIKey is NETOQZYTYHUQLV-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)10-11-5-4-6(11)7(12)13/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid?
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid is sourced from PubChem (CID 51031410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).