(2R)-1-butoxycarbonylazetidine-2-carboxylic acid

C9H15NO4 — CID 69461964

IUPAC(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
SMILESCCCCOC(=O)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-3-6-14-9(13)10-5-4-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeySYLRARQNFZTKAV-SSDOTTSWSA-N
MW201.22 g/mol
LogP1.08
Rot. Bonds4

About (2R)-1-butoxycarbonylazetidine-2-carboxylic acid

(2R)-1-butoxycarbonylazetidine-2-carboxylic acid (PubChem CID 69461964) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (2R)-1-butoxycarbonylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
PubChem CID69461964
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(2R)-1-butoxycarbonylazetidine-2-carboxylic acid
SMILESCCCCOC(=O)N1CC[C@@H]1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-3-6-14-9(13)10-5-4-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeySYLRARQNFZTKAV-SSDOTTSWSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836
(2R)-1-butoxycarbonylpiperidine-2-carboxylic acid
CID 70196600
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
(2S)-1-butoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 22868485
1-O-butyl 2-O-tetradecyl piperidine-1,2-dicarboxylate
CID 91728540
butyl 2-formylpyrrolidine-1-carboxylate
CID 54059986
1-O-butyl 2-O-methyl 3-methoxypyrrolidine-1,2-dicarboxylate
CID 126673748
butyl aziridine-1-carboxylate
CID 12641
butyl 2-(diaminomethylideneamino)piperidine-1-carboxylate
CID 67426103
1-butoxycarbonyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
CID 90241854
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxycarbonylazetidine-2-carboxylic acid?
The IUPAC name of (2R)-1-butoxycarbonylazetidine-2-carboxylic acid (CID 69461964) is (2R)-1-butoxycarbonylazetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-butoxycarbonylazetidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-butoxycarbonylazetidine-2-carboxylic acid is CCCCOC(=O)N1CC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-butoxycarbonylazetidine-2-carboxylic acid?
The InChIKey is SYLRARQNFZTKAV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-6-14-9(13)10-5-4-7(10)8(11)12/h7H,2-6H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-1-butoxycarbonylazetidine-2-carboxylic acid?
(2R)-1-butoxycarbonylazetidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxycarbonylazetidine-2-carboxylic acid is sourced from PubChem (CID 69461964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).