(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid

C10H14N2O4 — CID 156867883

IUPAC(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-2-8(13)11-6-9(14)12-5-3-4-7(12)10(15)16/h2,7H,1,3-6H2,(H,11,13)(H,15,16)/t7-/m0/s1
InChIKeyHGADKRXBKOQOMG-ZETCQYMHSA-N
MW226.23 g/mol
LogP-0.64
Rot. Bonds4

About (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 156867883) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID156867883
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESC=CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-2-8(13)11-6-9(14)12-5-3-4-7(12)10(15)16/h2,7H,1,3-6H2,(H,11,13)(H,15,16)/t7-/m0/s1
InChIKeyHGADKRXBKOQOMG-ZETCQYMHSA-N
XLogP-0.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Glycyl-glycyl-proline
CID 97051
(2S)-1-[(2R)-2-(1-carboxyethylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 44368523
Carboxymethylalanylproline
CID 44306009
(2S)-1-[(2R)-2-(carboxymethylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 44368279
(2S)-5-amino-5-oxo-2-(prop-2-enoylamino)pentanoic acid
CID 28170985
L-alanylglycyl-L-proline
CID 51389804
1-(2-Acetamidoacetyl)pyrrolidine-2-carboxylic acid
CID 24709801
Ala-Ala-Pro
CID 10131317
N-Acetyl-L-alanyl-L-proline
CID 15160467
Acryloyl-l-proline
CID 15705248
acryloyl-Leu-Gly-Pro-Ala
CID 67669328
(2S,4R)-4-fluoro-1-prop-2-enoylpyrrolidine-2-carboxylic acid
CID 138491021

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 156867883) is (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid is C=CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HGADKRXBKOQOMG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-8(13)11-6-9(14)12-5-3-4-7(12)10(15)16/h2,7H,1,3-6H2,(H,11,13)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(prop-2-enoylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 156867883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).