(2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid

C6H9NO4 — CID 14654406

IUPAC(2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)O)N1
InChIInChI=1S/C6H9NO4/c1-11-6(10)4-2-3(7-4)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)/t3-,4+/m0/s1
InChIKeyDRUUKULEYUWFNI-IUYQGCFVSA-N
MW159.14 g/mol
LogP-1.03
Rot. Bonds2

About (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid

(2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid (PubChem CID 14654406) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid
PubChem CID14654406
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)O)N1
InChIInChI=1S/C6H9NO4/c1-11-6(10)4-2-3(7-4)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)/t3-,4+/m0/s1
InChIKeyDRUUKULEYUWFNI-IUYQGCFVSA-N
XLogP-1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid (CID 14654406) is (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid is COC(=O)[C@H]1C[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid?
The InChIKey is DRUUKULEYUWFNI-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H9NO4/c1-11-6(10)4-2-3(7-4)5(8)9/h3-4,7H,2H2,1H3,(H,8,9)/t3-,4+/m0/s1.
What are the key properties of (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid?
(2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxycarbonylazetidine-2-carboxylic acid is sourced from PubChem (CID 14654406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).