methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate

C10H19NO3 — CID 69222028

IUPACmethyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCC1(O)CN[C@H](C(=O)OC)C1
InChIInChI=1S/C10H19NO3/c1-3-4-5-10(13)6-8(11-7-10)9(12)14-2/h8,11,13H,3-7H2,1-2H3/t8-,10?/m0/s1
InChIKeyMRAIETXZALQLGX-PEHGTWAWSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds4

About methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate

methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 69222028) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate
PubChem CID69222028
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate
SMILESCCCCC1(O)CN[C@H](C(=O)OC)C1
InChIInChI=1S/C10H19NO3/c1-3-4-5-10(13)6-8(11-7-10)9(12)14-2/h8,11,13H,3-7H2,1-2H3/t8-,10?/m0/s1
InChIKeyMRAIETXZALQLGX-PEHGTWAWSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate (CID 69222028) is methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate is CCCCC1(O)CN[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is MRAIETXZALQLGX-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-5-10(13)6-8(11-7-10)9(12)14-2/h8,11,13H,3-7H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate?
methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 69222028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).