methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride

C6H12ClNO2 — CID 10877481

IUPACmethyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride
SMILESCOC(=O)[C@@H]1CCC[NH2+]1.[Cl-]
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyHQEIPVHJHZTMDP-JEDNCBNOSA-N
MW165.62 g/mol
LogP-4.11
Rot. Bonds1

About methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride

methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride (PubChem CID 10877481) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride.

Molecular Properties

Compound Namemethyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride
PubChem CID10877481
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride
SMILESCOC(=O)[C@@H]1CCC[NH2+]1.[Cl-]
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKeyHQEIPVHJHZTMDP-JEDNCBNOSA-N
XLogP-4.11
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-4.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-pyrrolidin-1-ium-2-carboxamide
CID 6950540
(2S)-N-tert-butylpyrrolidin-1-ium-2-carboxamide
CID 42148489
methyl (4R)-1,3-thiazolidin-3-ium-4-carboxylate chloride
CID 110191333
methyl (2S,4R)-4-hydroxypyrrolidin-1-ium-2-carboxylate chloride
CID 10866959
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride?
The IUPAC name of methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride (CID 10877481) is methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride.
What is the SMILES notation for methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride?
The canonical SMILES for methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride is COC(=O)[C@@H]1CCC[NH2+]1.[Cl-].
What is the InChIKey of methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride?
The InChIKey is HQEIPVHJHZTMDP-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride?
methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride has a molecular weight of 165.62 g/mol, XLogP of -4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride is sourced from PubChem (CID 10877481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).