(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H22N2O4 — CID 79615394

IUPAC(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O4/c17-11-6-12(14(19)20)16(7-11)13(18)5-8-3-9-1-2-10(4-8)15-9/h8-12,15,17H,1-7H2,(H,19,20)/t8?,9?,10?,11-,12+/m1/s1
InChIKeyGCWLKWGGFOYVPH-ZYDSCCIBSA-N
MW282.34 g/mol
LogP-0.05
Rot. Bonds3

About (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79615394) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79615394
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O4/c17-11-6-12(14(19)20)16(7-11)13(18)5-8-3-9-1-2-10(4-8)15-9/h8-12,15,17H,1-7H2,(H,19,20)/t8?,9?,10?,11-,12+/m1/s1
InChIKeyGCWLKWGGFOYVPH-ZYDSCCIBSA-N
XLogP-0.05
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607866
(2S)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607781
(2S,4S)-1-(2-cyclohexylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713322
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
CID 79615257
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
formic acid;(2S,4R)-4-hydroxy-1-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 154913701
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79607697
4-hydroxy-1-(3-piperidin-4-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 55049627
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-1-[3-(ethylamino)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844036

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79615394) is (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is GCWLKWGGFOYVPH-ZYDSCCIBSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-11-6-12(14(19)20)16(7-11)13(18)5-8-3-9-1-2-10(4-8)15-9/h8-12,15,17H,1-7H2,(H,19,20)/t8?,9?,10?,11-,12+/m1/s1.
What are the key properties of (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79615394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).