2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid

C13H19N3O3 — CID 141313321

IUPAC2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid
SMILESCN1CCC[C@H]1c1cncc(OCCNC(=O)O)c1
InChIInChI=1S/C13H19N3O3/c1-16-5-2-3-12(16)10-7-11(9-14-8-10)19-6-4-15-13(17)18/h7-9,12,15H,2-6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyYVASJOALVXRDLT-LBPRGKRZSA-N
MW265.31 g/mol
LogP1.49
Rot. Bonds5

About 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid

2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid (PubChem CID 141313321) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid
PubChem CID141313321
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid
SMILESCN1CCC[C@H]1c1cncc(OCCNC(=O)O)c1
InChIInChI=1S/C13H19N3O3/c1-16-5-2-3-12(16)10-7-11(9-14-8-10)19-6-4-15-13(17)18/h7-9,12,15H,2-6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyYVASJOALVXRDLT-LBPRGKRZSA-N
XLogP1.49
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]propanamide
CID 76816664
2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
CID 58537411
tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate
CID 123619076
5-amino-N-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethyl]pentanamide
CID 76816641
7-amino-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]heptanamide
CID 58537445
2-[2-[2-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
CID 89482414
[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl] hydrogen sulfate
CID 139595012
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid?
The IUPAC name of 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid (CID 141313321) is 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid.
What is the SMILES notation for 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid?
The canonical SMILES for 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid is CN1CCC[C@H]1c1cncc(OCCNC(=O)O)c1.
What is the InChIKey of 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid?
The InChIKey is YVASJOALVXRDLT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-5-2-3-12(16)10-7-11(9-14-8-10)19-6-4-15-13(17)18/h7-9,12,15H,2-6H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid?
2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid has a molecular weight of 265.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethylcarbamic acid is sourced from PubChem (CID 141313321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).