bis((2S)-pyrrolidine-2-carboxylic acid);hydrate

C10H20N2O5 — CID 67110713

IUPACbis((2S)-pyrrolidine-2-carboxylic acid);hydrate
SMILESO.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/2C5H9NO2.H2O/c2*7-5(8)4-2-1-3-6-4;/h2*4,6H,1-3H2,(H,7,8);1H2/t2*4-;/m00./s1
InChIKeyKBHZCYUMGZNWFB-SCGRZTRASA-N
MW248.28 g/mol
LogP-1.18
Rot. Bonds2

About bis((2S)-pyrrolidine-2-carboxylic acid);hydrate

bis((2S)-pyrrolidine-2-carboxylic acid);hydrate (PubChem CID 67110713) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is bis((2S)-pyrrolidine-2-carboxylic acid);hydrate.

Molecular Properties

Compound Namebis((2S)-pyrrolidine-2-carboxylic acid);hydrate
PubChem CID67110713
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Namebis((2S)-pyrrolidine-2-carboxylic acid);hydrate
SMILESO.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/2C5H9NO2.H2O/c2*7-5(8)4-2-1-3-6-4;/h2*4,6H,1-3H2,(H,7,8);1H2/t2*4-;/m00./s1
InChIKeyKBHZCYUMGZNWFB-SCGRZTRASA-N
XLogP-1.18
TPSA130.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
pyrrolidine-2-carboxylic acid;silver
CID 87701112
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640
CID 145362144
CID 145362144

Frequently Asked Questions

What is the IUPAC name of bis((2S)-pyrrolidine-2-carboxylic acid);hydrate?
The IUPAC name of bis((2S)-pyrrolidine-2-carboxylic acid);hydrate (CID 67110713) is bis((2S)-pyrrolidine-2-carboxylic acid);hydrate.
What is the SMILES notation for bis((2S)-pyrrolidine-2-carboxylic acid);hydrate?
The canonical SMILES for bis((2S)-pyrrolidine-2-carboxylic acid);hydrate is O.O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of bis((2S)-pyrrolidine-2-carboxylic acid);hydrate?
The InChIKey is KBHZCYUMGZNWFB-SCGRZTRASA-N. The full InChI is InChI=1S/2C5H9NO2.H2O/c2*7-5(8)4-2-1-3-6-4;/h2*4,6H,1-3H2,(H,7,8);1H2/t2*4-;/m00./s1.
What are the key properties of bis((2S)-pyrrolidine-2-carboxylic acid);hydrate?
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate has a molecular weight of 248.28 g/mol, XLogP of -1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-pyrrolidine-2-carboxylic acid);hydrate is sourced from PubChem (CID 67110713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).