(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid

C6H10INO2 — CID 89158882

IUPAC(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](CI)C1
InChIInChI=1S/C6H10INO2/c7-3-5-1-2-8(4-5)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyAYVBRCXZCGPIAR-YFKPBYRVSA-N
MW255.05 g/mol
LogP1.42
Rot. Bonds1

About (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid

(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid (PubChem CID 89158882) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
PubChem CID89158882
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Name(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](CI)C1
InChIInChI=1S/C6H10INO2/c7-3-5-1-2-8(4-5)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyAYVBRCXZCGPIAR-YFKPBYRVSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-3-(iodomethyl)pyrrolidin-1-yl]ethanone
CID 96555506
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
3-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 123542775
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573235
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
4-[(cyclopropylmethylamino)methyl]piperidine-1-carboxylic acid
CID 22047936
4-(3,3-dibromoprop-2-enyl)piperidine-1-carboxylic acid
CID 87209791
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
3-(2-methylsulfonyloxyethyl)pyrrolidine-1-carboxylic acid
CID 87338989

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid (CID 89158882) is (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](CI)C1.
What is the InChIKey of (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is AYVBRCXZCGPIAR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10INO2/c7-3-5-1-2-8(4-5)6(9)10/h5H,1-4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid?
(3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 255.05 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(iodomethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 89158882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).