methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate

C10H17NO3 — CID 94069422

IUPACmethyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
SMILESCCCCN1C[C@H](C(=O)OC)CC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-5-11-7-8(6-9(11)12)10(13)14-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXVYKGBHWNDMREC-MRVPVSSYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds4

About methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate

methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 94069422) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
PubChem CID94069422
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
SMILESCCCCN1C[C@H](C(=O)OC)CC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-5-11-7-8(6-9(11)12)10(13)14-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyXVYKGBHWNDMREC-MRVPVSSYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 5-oxo-1-(3-triethoxysilylpropyl)pyrrolidine-3-carboxylate
CID 3023550
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
octyl 1-octyl-5-oxopyrrolidine-3-carboxylate
CID 59359662
methyl 2-[[(3S)-1-butyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9398138
propan-2-yl 1-decyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-hexadecyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 1-nonyl-5-oxopyrrolidine-3-carboxylate;propan-2-yl 5-oxo-1-undecylpyrrolidine-3-carboxylate
CID 160622792
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate (CID 94069422) is methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate is CCCCN1C[C@H](C(=O)OC)CC1=O.
What is the InChIKey of methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XVYKGBHWNDMREC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-5-11-7-8(6-9(11)12)10(13)14-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate?
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 94069422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).