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

C8H16N2O2 — CID 158015012

IUPACcyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC1CC1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C3H7N/c7-5(8)4-2-1-3-6-4;4-3-1-2-3/h4,6H,1-3H2,(H,7,8);3H,1-2,4H2/t4-;/m0./s1
InChIKeyFFIQZEWFMBJDGN-WCCKRBBISA-N
MW172.23 g/mol
LogP-0.07
Rot. Bonds1

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

cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 158015012) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namecyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID158015012
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namecyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid
SMILESNC1CC1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C3H7N/c7-5(8)4-2-1-3-6-4;4-3-1-2-3/h4,6H,1-3H2,(H,7,8);3H,1-2,4H2/t4-;/m0./s1
InChIKeyFFIQZEWFMBJDGN-WCCKRBBISA-N
XLogP-0.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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
(2S)-pyrrolidine-2-carboxylic acid;urea
CID 11629677
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
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
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid (CID 158015012) is cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid is NC1CC1.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is FFIQZEWFMBJDGN-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C3H7N/c7-5(8)4-2-1-3-6-4;4-3-1-2-3/h4,6H,1-3H2,(H,7,8);3H,1-2,4H2/t4-;/m0./s1.
What are the key properties of cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid?
cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158015012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).