methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate

C9H15NO3 — CID 163529302

IUPACmethyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate
SMILESC=C(O)[C@@]1(C(=O)OC)CCCN1C
InChIInChI=1S/C9H15NO3/c1-7(11)9(8(12)13-3)5-4-6-10(9)2/h11H,1,4-6H2,2-3H3/t9-/m1/s1
InChIKeyDRNTWZWXTPHPIG-SECBINFHSA-N
MW185.22 g/mol
LogP0.70
Rot. Bonds2

About methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate

methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate (PubChem CID 163529302) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate
PubChem CID163529302
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate
SMILESC=C(O)[C@@]1(C(=O)OC)CCCN1C
InChIInChI=1S/C9H15NO3/c1-7(11)9(8(12)13-3)5-4-6-10(9)2/h11H,1,4-6H2,2-3H3/t9-/m1/s1
InChIKeyDRNTWZWXTPHPIG-SECBINFHSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
(2S)-2-methoxycarbonyl-1-pentylpyrrolidine-2-carboxylic acid
CID 174784568
1-O-tert-butyl 2-O-methyl 2-acetylpyrrolidine-1,2-dicarboxylate
CID 90330161
methyl 1-methyl-4-(prop-2-enylamino)azepane-4-carboxylate
CID 65075483
methyl 2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxylate
CID 146294452
(2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 68992884
methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 105441160
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methoxycarbonylpyrrolidine-2-carboxylic acid;hydrochloride
CID 69187988
methyl 2-azatricyclo[5.2.1.02,6]decane-6-carboxylate
CID 169228077
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
methyl 1-(3-methoxy-3-oxoprop-1-en-2-yl)cyclohexane-1-carboxylate
CID 105483862
methyl 4-(1-methoxyethenyl)bicyclo[2.2.2]octane-1-carboxylate
CID 143344855

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate (CID 163529302) is methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate is C=C(O)[C@@]1(C(=O)OC)CCCN1C.
What is the InChIKey of methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is DRNTWZWXTPHPIG-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(11)9(8(12)13-3)5-4-6-10(9)2/h11H,1,4-6H2,2-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate?
methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 163529302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).