(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid

C11H16N2O6 — CID 66964992

IUPAC(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid
SMILESC=CCOC(=O)CN[C@H]1C[C@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C11H16N2O6/c1-2-3-19-9(14)5-12-7-4-8(10(15)16)13(6-7)11(17)18/h2,7-8,12H,1,3-6H2,(H,15,16)(H,17,18)/t7-,8+/m0/s1
InChIKeyWWUPLPNHOIGBAO-JGVFFNPUSA-N
MW272.26 g/mol
LogP-0.49
Rot. Bonds6

About (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid

(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid (PubChem CID 66964992) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid
PubChem CID66964992
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid
SMILESC=CCOC(=O)CN[C@H]1C[C@H](C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C11H16N2O6/c1-2-3-19-9(14)5-12-7-4-8(10(15)16)13(6-7)11(17)18/h2,7-8,12H,1,3-6H2,(H,15,16)(H,17,18)/t7-,8+/m0/s1
InChIKeyWWUPLPNHOIGBAO-JGVFFNPUSA-N
XLogP-0.49
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid (CID 66964992) is (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid is C=CCOC(=O)CN[C@H]1C[C@H](C(=O)O)N(C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is WWUPLPNHOIGBAO-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-2-3-19-9(14)5-12-7-4-8(10(15)16)13(6-7)11(17)18/h2,7-8,12H,1,3-6H2,(H,15,16)(H,17,18)/t7-,8+/m0/s1.
What are the key properties of (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid?
(2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 272.26 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[(2-oxo-2-prop-2-enoxyethyl)amino]pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 66964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).