(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide

C8H14N2O3 — CID 130752290

IUPAC(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H14N2O3/c1-2-3-9-8(13)10-4-6(11)7(12)5-10/h2,6-7,11-12H,1,3-5H2,(H,9,13)/t6-,7+
InChIKeyXQZAHNIYRYPVGM-KNVOCYPGSA-N
MW186.21 g/mol
LogP-1.08
Rot. Bonds2

About (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide

(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide (PubChem CID 130752290) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide
PubChem CID130752290
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide
SMILESC=CCNC(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H14N2O3/c1-2-3-9-8(13)10-4-6(11)7(12)5-10/h2,6-7,11-12H,1,3-5H2,(H,9,13)/t6-,7+
InChIKeyXQZAHNIYRYPVGM-KNVOCYPGSA-N
XLogP-1.08
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide (CID 130752290) is (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide is C=CCNC(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide?
The InChIKey is XQZAHNIYRYPVGM-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-3-9-8(13)10-4-6(11)7(12)5-10/h2,6-7,11-12H,1,3-5H2,(H,9,13)/t6-,7+.
What are the key properties of (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide?
(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130752290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).