(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H18N2O5 — CID 66371673

IUPAC(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H18N2O5/c15-7-3-10(11(16)17)14(4-7)12(18)13-5-8-1-2-9(6-13)19-8/h7-10,15H,1-6H2,(H,16,17)/t7?,8?,9?,10-/m0/s1
InChIKeyXDNWDFUCKTZCIJ-VVIYDGDNSA-N
MW270.28 g/mol
LogP-0.51
Rot. Bonds1

About (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 66371673) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID66371673
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C12H18N2O5/c15-7-3-10(11(16)17)14(4-7)12(18)13-5-8-1-2-9(6-13)19-8/h7-10,15H,1-6H2,(H,16,17)/t7?,8?,9?,10-/m0/s1
InChIKeyXDNWDFUCKTZCIJ-VVIYDGDNSA-N
XLogP-0.51
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

4-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidine-2-carboxylic acid
CID 114425695
(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
(2S,4R)-4-hydroxy-1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102744949
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 66371673) is (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)N1CC2CCC(C1)O2.
What is the InChIKey of (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XDNWDFUCKTZCIJ-VVIYDGDNSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-7-3-10(11(16)17)14(4-7)12(18)13-5-8-1-2-9(6-13)19-8/h7-10,15H,1-6H2,(H,16,17)/t7?,8?,9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66371673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).