methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate

C11H19NO3 — CID 167396040

IUPACmethyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)CC(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)7-10(13)12-6-4-5-9(12)11(14)15-3/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyKFZPRANFTSDGAO-SECBINFHSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds3

About methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate

methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate (PubChem CID 167396040) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
PubChem CID167396040
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)CC(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)7-10(13)12-6-4-5-9(12)11(14)15-3/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyKFZPRANFTSDGAO-SECBINFHSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate (CID 167396040) is methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C(=O)CC(C)C.
What is the InChIKey of methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate?
The InChIKey is KFZPRANFTSDGAO-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)7-10(13)12-6-4-5-9(12)11(14)15-3/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 167396040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).