(2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid

C7H11NO5 — CID 67239745

IUPAC(2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C(O)CCN1C(=O)CO
InChIInChI=1S/C7H11NO5/c9-3-5(11)8-2-1-4(10)6(8)7(12)13/h4,6,9-10H,1-3H2,(H,12,13)/t4?,6-/m0/s1
InChIKeyYIQNUUAWXZRDKD-RZKHNPSRSA-N
MW189.17 g/mol
LogP-1.97
Rot. Bonds2

About (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid

(2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 67239745) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid
PubChem CID67239745
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name(2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C(O)CCN1C(=O)CO
InChIInChI=1S/C7H11NO5/c9-3-5(11)8-2-1-4(10)6(8)7(12)13/h4,6,9-10H,1-3H2,(H,12,13)/t4?,6-/m0/s1
InChIKeyYIQNUUAWXZRDKD-RZKHNPSRSA-N
XLogP-1.97
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid (CID 67239745) is (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C(O)CCN1C(=O)CO.
What is the InChIKey of (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YIQNUUAWXZRDKD-RZKHNPSRSA-N. The full InChI is InChI=1S/C7H11NO5/c9-3-5(11)8-2-1-4(10)6(8)7(12)13/h4,6,9-10H,1-3H2,(H,12,13)/t4?,6-/m0/s1.
What are the key properties of (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid?
(2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-1-(2-hydroxyacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67239745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).