methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate

C16H31NO3 — CID 115971596

IUPACmethyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCCCCCCCN1CC(O)CC1C(=O)OC
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-17-13-14(18)12-15(17)16(19)20-2/h14-15,18H,3-13H2,1-2H3
InChIKeyGSLKNBLSGWDMBR-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.74
Rot. Bonds10

About methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate

methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115971596) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115971596
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Namemethyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCCCCCCCN1CC(O)CC1C(=O)OC
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-17-13-14(18)12-15(17)16(19)20-2/h14-15,18H,3-13H2,1-2H3
InChIKeyGSLKNBLSGWDMBR-UHFFFAOYSA-N
XLogP2.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 1-[2-(dipropylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971555
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

Frequently Asked Questions

What is the IUPAC name of methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate (CID 115971596) is methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate is CCCCCCCCCCN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is GSLKNBLSGWDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-9-10-11-17-13-14(18)12-15(17)16(19)20-2/h14-15,18H,3-13H2,1-2H3.
What are the key properties of methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115971596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).