methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate

C10H19NO4 — CID 112632967

IUPACmethyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CCCCO
InChIInChI=1S/C10H19NO4/c1-15-10(14)9-6-8(13)7-11(9)4-2-3-5-12/h8-9,12-13H,2-7H2,1H3
InChIKeyBNSWKXPTSLPRGV-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.63
Rot. Bonds5

About methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate (PubChem CID 112632967) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
PubChem CID112632967
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CCCCO
InChIInChI=1S/C10H19NO4/c1-15-10(14)9-6-8(13)7-11(9)4-2-3-5-12/h8-9,12-13H,2-7H2,1H3
InChIKeyBNSWKXPTSLPRGV-UHFFFAOYSA-N
XLogP-0.63
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
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-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
methyl 1-[3-(4-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971584
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl 4-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-2-carboxylate
CID 72979082
methyl (4R)-4-hydroxy-1-[2-(2-methylpropylsulfanyl)ethyl]pyrrolidine-2-carboxylate
CID 102561828

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate (CID 112632967) is methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1CCCCO.
What is the InChIKey of methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate?
The InChIKey is BNSWKXPTSLPRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-15-10(14)9-6-8(13)7-11(9)4-2-3-5-12/h8-9,12-13H,2-7H2,1H3.
What are the key properties of methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate has a molecular weight of 217.26 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).