(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid

C8H13NO5 — CID 14863933

IUPAC(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN21
InChIInChI=1S/C8H13NO5/c10-3-1-2-9-4(3)6(11)7(12)5(9)8(13)14/h3-7,10-12H,1-2H2,(H,13,14)/t3-,4+,5-,6+,7+/m0/s1
InChIKeyVTIRMWCDXGHHAD-PJEQPVAWSA-N
MW203.19 g/mol
LogP-2.39
Rot. Bonds1

About (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid

(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid (PubChem CID 14863933) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
PubChem CID14863933
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN21
InChIInChI=1S/C8H13NO5/c10-3-1-2-9-4(3)6(11)7(12)5(9)8(13)14/h3-7,10-12H,1-2H2,(H,13,14)/t3-,4+,5-,6+,7+/m0/s1
InChIKeyVTIRMWCDXGHHAD-PJEQPVAWSA-N
XLogP-2.39
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
The IUPAC name of (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid (CID 14863933) is (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid.
What is the SMILES notation for (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
The canonical SMILES for (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid is O=C(O)[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN21.
What is the InChIKey of (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
The InChIKey is VTIRMWCDXGHHAD-PJEQPVAWSA-N. The full InChI is InChI=1S/C8H13NO5/c10-3-1-2-9-4(3)6(11)7(12)5(9)8(13)14/h3-7,10-12H,1-2H2,(H,13,14)/t3-,4+,5-,6+,7+/m0/s1.
What are the key properties of (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid?
(1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid has a molecular weight of 203.19 g/mol, XLogP of -2.39, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,7S,8R)-1,2,7-trihydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid is sourced from PubChem (CID 14863933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).