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

C6H13N3O3 — CID 11629677

IUPAC(2S)-pyrrolidine-2-carboxylic acid;urea
SMILESNC(N)=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.CH4N2O/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H4,2,3,4)/t4-;/m0./s1
InChIKeyYJMCIBYTKQINHP-WCCKRBBISA-N
MW175.19 g/mol
LogP-1.15
Rot. Bonds1

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

(2S)-pyrrolidine-2-carboxylic acid;urea (PubChem CID 11629677) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2S)-pyrrolidine-2-carboxylic acid;urea.

Molecular Properties

Compound Name(2S)-pyrrolidine-2-carboxylic acid;urea
PubChem CID11629677
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2S)-pyrrolidine-2-carboxylic acid;urea
SMILESNC(N)=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.CH4N2O/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H4,2,3,4)/t4-;/m0./s1
InChIKeyYJMCIBYTKQINHP-WCCKRBBISA-N
XLogP-1.15
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.15
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
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid
CID 158015012
sodium;pyrrolidine-2-carboxylic acid;chloride
CID 68997199

Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;urea?
The IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;urea (CID 11629677) is (2S)-pyrrolidine-2-carboxylic acid;urea.
What is the SMILES notation for (2S)-pyrrolidine-2-carboxylic acid;urea?
The canonical SMILES for (2S)-pyrrolidine-2-carboxylic acid;urea is NC(N)=O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-pyrrolidine-2-carboxylic acid;urea?
The InChIKey is YJMCIBYTKQINHP-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.CH4N2O/c7-5(8)4-2-1-3-6-4;2-1(3)4/h4,6H,1-3H2,(H,7,8);(H4,2,3,4)/t4-;/m0./s1.
What are the key properties of (2S)-pyrrolidine-2-carboxylic acid;urea?
(2S)-pyrrolidine-2-carboxylic acid;urea has a molecular weight of 175.19 g/mol, XLogP of -1.15, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidine-2-carboxylic acid;urea is sourced from PubChem (CID 11629677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).