(2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

C9H13NO5 — CID 18639171

IUPAC(2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=CCOC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-3-15-9(14)10-5-6(11)4-7(10)8(12)13/h2,6-7,11H,1,3-5H2,(H,12,13)/t6-,7+/m1/s1
InChIKeyXHZYVDPKJZQKHJ-RQJHMYQMSA-N
MW215.20 g/mol
LogP-0.17
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 18639171) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID18639171
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=CCOC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C9H13NO5/c1-2-3-15-9(14)10-5-6(11)4-7(10)8(12)13/h2,6-7,11H,1,3-5H2,(H,12,13)/t6-,7+/m1/s1
InChIKeyXHZYVDPKJZQKHJ-RQJHMYQMSA-N
XLogP-0.17
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid (CID 18639171) is (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid is C=CCOC(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is XHZYVDPKJZQKHJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13NO5/c1-2-3-15-9(14)10-5-6(11)4-7(10)8(12)13/h2,6-7,11H,1,3-5H2,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 215.20 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18639171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).