methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate

C10H19NO4 — CID 72691020

IUPACmethyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
SMILESCOCCCN1CC(O)CC1C(=O)OC
InChIInChI=1S/C10H19NO4/c1-14-5-3-4-11-7-8(12)6-9(11)10(13)15-2/h8-9,12H,3-7H2,1-2H3
InChIKeyOTADFOHAYFZFPT-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.37
Rot. Bonds5

About methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate (PubChem CID 72691020) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
PubChem CID72691020
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
SMILESCOCCCN1CC(O)CC1C(=O)OC
InChIInChI=1S/C10H19NO4/c1-14-5-3-4-11-7-8(12)6-9(11)10(13)15-2/h8-9,12H,3-7H2,1-2H3
InChIKeyOTADFOHAYFZFPT-UHFFFAOYSA-N
XLogP-0.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 112632888
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 1-[3-(4-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971584
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
methyl 4-hydroxy-1-[3-(3-methylphenoxy)propyl]pyrrolidine-2-carboxylate
CID 115971528
CID 175766010
CID 175766010
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate (CID 72691020) is methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate is COCCCN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate?
The InChIKey is OTADFOHAYFZFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-5-3-4-11-7-8(12)6-9(11)10(13)15-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate has a molecular weight of 217.26 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 72691020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).