iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C6H10INO3 — CID 70822306

IUPACiodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OI)N1CCC[C@H]1CO
InChIInChI=1S/C6H10INO3/c7-11-6(10)8-3-1-2-5(8)4-9/h5,9H,1-4H2/t5-/m0/s1
InChIKeyBBDAXGMOKWFTER-YFKPBYRVSA-N
MW271.05 g/mol
LogP0.93
Rot. Bonds1

About iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate

iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 70822306) has the molecular formula C6H10INO3 and a molecular weight of 271.05 g/mol. Its IUPAC name is iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameiodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID70822306
Molecular FormulaC6H10INO3
Molecular Weight271.05 g/mol
Exact Mass270.97
IUPAC Nameiodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESO=C(OI)N1CCC[C@H]1CO
InChIInChI=1S/C6H10INO3/c7-11-6(10)8-3-1-2-5(8)4-9/h5,9H,1-4H2/t5-/m0/s1
InChIKeyBBDAXGMOKWFTER-YFKPBYRVSA-N
XLogP0.93
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
CID 23110559
2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 107877422
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 14282319
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-sulfanylbutan-1-one
CID 146330782
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 61409975
3-(tert-butylamino)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 107217993

Frequently Asked Questions

What is the IUPAC name of iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 70822306) is iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is O=C(OI)N1CCC[C@H]1CO.
What is the InChIKey of iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is BBDAXGMOKWFTER-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10INO3/c7-11-6(10)8-3-1-2-5(8)4-9/h5,9H,1-4H2/t5-/m0/s1.
What are the key properties of iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 271.05 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 70822306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).