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

C9H15NO4 — CID 2734495

IUPAC(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@H]1C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyJWJVSDZKYYXDDN-LURJTMIESA-N
MW201.22 g/mol
LogP1.08
Rot. Bonds1

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

(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (PubChem CID 2734495) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
PubChem CID2734495
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC[C@H]1C(=O)O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKeyJWJVSDZKYYXDDN-LURJTMIESA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821736
1-[(Tert-butoxy)carbonyl]azetidine-2-carboxylic acid
CID 3623886
(2R)-1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid
CID 7009128
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CID 14821735
1-[(Tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid
CID 21866332
(2R)-2-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 58615437
1-((Tert-butoxy)carbonyl)-3-methylazetidine-2-carboxylic acid
CID 67222802
1-[(Tert-butoxy)carbonyl]-3,3-difluoroazetidine-2-carboxylic acid
CID 73553996
rac-(2R,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid
CID 126721603
1-[(Tert-butoxy)carbonyl]-4-methylazetidine-2-carboxylic acid
CID 130003976
rac-(2R,4S)-1-((tert-butoxy)carbonyl)-4-methylazetidine-2-carboxylic acid
CID 130942964

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid (CID 2734495) is (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
The InChIKey is JWJVSDZKYYXDDN-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid?
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 2734495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).