(2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid

C11H18N2O3 — CID 69485147

IUPAC(2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESC=CCN[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H18N2O3/c1-3-6-12-8(2)10(14)13-7-4-5-9(13)11(15)16/h3,8-9,12H,1,4-7H2,2H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyLDFLFMQRLKMVIV-IUCAKERBSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds5

About (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 69485147) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID69485147
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid
SMILESC=CCN[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C11H18N2O3/c1-3-6-12-8(2)10(14)13-7-4-5-9(13)11(15)16/h3,8-9,12H,1,4-7H2,2H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyLDFLFMQRLKMVIV-IUCAKERBSA-N
XLogP0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

L-Alanyl-L-proline
CID 83525
L-Lysyl-L-proline
CID 171204
1-D-Alanyl-L-proline
CID 6454191
L-Valyl-L-proline
CID 9837272
Prolyl-proline
CID 11622593
Glycyl-glycyl-proline
CID 97051
(2S)-1-[(2S)-2-[(3-amino-1-carboxypropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 44316829
(R)-1-[(S)-2-((S)-2-Amino-hexanoylamino)-propionyl]-pyrrolidine-2-carboxylic acid
CID 44352399
(2S)-1-[(2R)-2-(1-carboxyethylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 44368523
L-Valyl-L-alanyl-L-proline
CID 11858290
Carboxymethylalanylproline
CID 44306009
(2S)-1-[(2R)-2-(carboxymethylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 44368279

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid (CID 69485147) is (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid is C=CCN[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LDFLFMQRLKMVIV-IUCAKERBSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-6-12-8(2)10(14)13-7-4-5-9(13)11(15)16/h3,8-9,12H,1,4-7H2,2H3,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(prop-2-enylamino)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69485147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).