(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H20N2O4 — CID 64712851

IUPAC(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)C1CC12CCNCC2
InChIInChI=1S/C13H20N2O4/c16-8-5-10(12(18)19)15(7-8)11(17)9-6-13(9)1-3-14-4-2-13/h8-10,14,16H,1-7H2,(H,18,19)/t8-,9?,10-/m0/s1
InChIKeyZWVFNNGNSHJUPN-SMILAEQMSA-N
MW268.31 g/mol
LogP-0.58
Rot. Bonds2

About (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64712851) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64712851
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)C1CC12CCNCC2
InChIInChI=1S/C13H20N2O4/c16-8-5-10(12(18)19)15(7-8)11(17)9-6-13(9)1-3-14-4-2-13/h8-10,14,16H,1-7H2,(H,18,19)/t8-,9?,10-/m0/s1
InChIKeyZWVFNNGNSHJUPN-SMILAEQMSA-N
XLogP-0.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 64712851) is (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)C1CC12CCNCC2.
What is the InChIKey of (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is ZWVFNNGNSHJUPN-SMILAEQMSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-8-5-10(12(18)19)15(7-8)11(17)9-6-13(9)1-3-14-4-2-13/h8-10,14,16H,1-7H2,(H,18,19)/t8-,9?,10-/m0/s1.
What are the key properties of (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(6-azaspiro[2.5]octane-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64712851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).