(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid

C10H17NO4 — CID 150419156

IUPAC(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
SMILESCCC[C@@H]1CC[C@H](C(=O)OC)N1C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-4-7-5-6-8(9(12)15-2)11(7)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyHHKCKRZJNZBXMB-HTQZYQBOSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds3

About (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid

(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid (PubChem CID 150419156) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
PubChem CID150419156
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid
SMILESCCC[C@@H]1CC[C@H](C(=O)OC)N1C(=O)O
InChIInChI=1S/C10H17NO4/c1-3-4-7-5-6-8(9(12)15-2)11(7)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8-/m1/s1
InChIKeyHHKCKRZJNZBXMB-HTQZYQBOSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid (CID 150419156) is (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid is CCC[C@@H]1CC[C@H](C(=O)OC)N1C(=O)O.
What is the InChIKey of (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid?
The InChIKey is HHKCKRZJNZBXMB-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-4-7-5-6-8(9(12)15-2)11(7)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)/t7-,8-/m1/s1.
What are the key properties of (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid?
(2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-methoxycarbonyl-5-propylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 150419156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).