7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid

C10H13NO4 — CID 82394678

IUPAC7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid
SMILESCOC(=O)C1=C2C(C(=O)O)CCN2CC1
InChIInChI=1S/C10H13NO4/c1-15-10(14)7-3-5-11-4-2-6(8(7)11)9(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyHJIYONBHCQBYQE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.22
Rot. Bonds2

About 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid

7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 82394678) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID82394678
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid
SMILESCOC(=O)C1=C2C(C(=O)O)CCN2CC1
InChIInChI=1S/C10H13NO4/c1-15-10(14)7-3-5-11-4-2-6(8(7)11)9(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyHJIYONBHCQBYQE-UHFFFAOYSA-N
XLogP0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid (CID 82394678) is 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid is COC(=O)C1=C2C(C(=O)O)CCN2CC1.
What is the InChIKey of 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is HJIYONBHCQBYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-10(14)7-3-5-11-4-2-6(8(7)11)9(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid?
7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxycarbonyl-2,3,5,6-tetrahydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 82394678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).