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

C13H17NO2 — CID 175001935

IUPAC(2S)-pyrrolidine-2-carboxylic acid;styrene
SMILESC=Cc1ccccc1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C8H8.C5H9NO2/c1-2-8-6-4-3-5-7-8;7-5(8)4-2-1-3-6-4/h2-7H,1H2;4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyYPTCPDLLDHKMQG-VWMHFEHESA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds2

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

(2S)-pyrrolidine-2-carboxylic acid;styrene (PubChem CID 175001935) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2S)-pyrrolidine-2-carboxylic acid;styrene.

Molecular Properties

Compound Name(2S)-pyrrolidine-2-carboxylic acid;styrene
PubChem CID175001935
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2S)-pyrrolidine-2-carboxylic acid;styrene
SMILESC=Cc1ccccc1.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C8H8.C5H9NO2/c1-2-8-6-4-3-5-7-8;7-5(8)4-2-1-3-6-4/h2-7H,1H2;4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1
InChIKeyYPTCPDLLDHKMQG-VWMHFEHESA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
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
formic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 67621740

Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;styrene?
The IUPAC name of (2S)-pyrrolidine-2-carboxylic acid;styrene (CID 175001935) is (2S)-pyrrolidine-2-carboxylic acid;styrene.
What is the SMILES notation for (2S)-pyrrolidine-2-carboxylic acid;styrene?
The canonical SMILES for (2S)-pyrrolidine-2-carboxylic acid;styrene is C=Cc1ccccc1.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-pyrrolidine-2-carboxylic acid;styrene?
The InChIKey is YPTCPDLLDHKMQG-VWMHFEHESA-N. The full InChI is InChI=1S/C8H8.C5H9NO2/c1-2-8-6-4-3-5-7-8;7-5(8)4-2-1-3-6-4/h2-7H,1H2;4,6H,1-3H2,(H,7,8)/t;4-/m.0/s1.
What are the key properties of (2S)-pyrrolidine-2-carboxylic acid;styrene?
(2S)-pyrrolidine-2-carboxylic acid;styrene has a molecular weight of 219.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidine-2-carboxylic acid;styrene is sourced from PubChem (CID 175001935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).