methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate

C9H15NO3 — CID 10986982

IUPACmethyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate
SMILESC=CCN1CC[C@H](O)[C@H]1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-5-10-6-4-7(11)8(10)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyKZSVGYFTWXVELT-YUMQZZPRSA-N
MW185.22 g/mol
LogP-0.22
Rot. Bonds3

About methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate

methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate (PubChem CID 10986982) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate
PubChem CID10986982
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate
SMILESC=CCN1CC[C@H](O)[C@H]1C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-5-10-6-4-7(11)8(10)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8-/m0/s1
InChIKeyKZSVGYFTWXVELT-YUMQZZPRSA-N
XLogP-0.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl (2R,3S)-1-(2,2-dimethylpropyl)-3-hydroxypiperidine-2-carboxylate
CID 139572605
methyl (2S,3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-hydroxypiperidine-2-carboxylate
CID 129399684
methyl (3S,4R)-3-ethenyl-4-hydroxypiperidine-1-carboxylate
CID 15778473
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
methyl 2-(2,3-dihydro-1H-indol-2-yl)-1-prop-2-enylpiperidine-3-carboxylate
CID 141208309
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
2-O-methyl 1-O-prop-2-enyl 4-[2-(1,3-dithiol-2-yl)ethyl]piperidine-1,2-dicarboxylate
CID 141225435
methyl 1-[2-(1-methylpiperidin-4-yl)ethyl]azetidine-2-carboxylate
CID 114517132
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl (2R,3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-hydroxypiperidine-2-carboxylate
CID 129399693

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate (CID 10986982) is methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate is C=CCN1CC[C@H](O)[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate?
The InChIKey is KZSVGYFTWXVELT-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-5-10-6-4-7(11)8(10)9(12)13-2/h3,7-8,11H,1,4-6H2,2H3/t7-,8-/m0/s1.
What are the key properties of methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate?
methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-hydroxy-1-prop-2-enylpyrrolidine-2-carboxylate is sourced from PubChem (CID 10986982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).