carbonic acid;(2S)-pyrrolidine-2-carboxylic acid

C6H11NO5 — CID 70552648

IUPACcarbonic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.CH2O3/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H2,2,3,4)/t4-;/m0./s1
InChIKeyRTMFVGINWLBAQO-WCCKRBBISA-N
MW177.16 g/mol
LogP0.05
Rot. Bonds1

About carbonic acid;(2S)-pyrrolidine-2-carboxylic acid

carbonic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 70552648) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is carbonic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namecarbonic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID70552648
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Namecarbonic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.CH2O3/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H2,2,3,4)/t4-;/m0./s1
InChIKeyRTMFVGINWLBAQO-WCCKRBBISA-N
XLogP0.05
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
CID 145362144
CID 145362144
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of carbonic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 70552648) is carbonic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for carbonic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for carbonic acid;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of carbonic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is RTMFVGINWLBAQO-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.CH2O3/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H2,2,3,4)/t4-;/m0./s1.
What are the key properties of carbonic acid;(2S)-pyrrolidine-2-carboxylic acid?
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 177.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70552648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).