2-methylpentyl 3-methylpyrrolidine-2-carboxylate

C12H23NO2 — CID 103284116

IUPAC2-methylpentyl 3-methylpyrrolidine-2-carboxylate
SMILESCCCC(C)COC(=O)C1NCCC1C
InChIInChI=1S/C12H23NO2/c1-4-5-9(2)8-15-12(14)11-10(3)6-7-13-11/h9-11,13H,4-8H2,1-3H3
InChIKeyTWPWEONGIYOMKP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds5

About 2-methylpentyl 3-methylpyrrolidine-2-carboxylate

2-methylpentyl 3-methylpyrrolidine-2-carboxylate (PubChem CID 103284116) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methylpentyl 3-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 3-methylpyrrolidine-2-carboxylate
PubChem CID103284116
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methylpentyl 3-methylpyrrolidine-2-carboxylate
SMILESCCCC(C)COC(=O)C1NCCC1C
InChIInChI=1S/C12H23NO2/c1-4-5-9(2)8-15-12(14)11-10(3)6-7-13-11/h9-11,13H,4-8H2,1-3H3
InChIKeyTWPWEONGIYOMKP-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923
1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
CID 103488963
2-methylpentyl thiomorpholine-3-carboxylate
CID 103284300
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
N-butan-2-yl-3-methylpyrrolidine-2-carboxamide
CID 102776775
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
2-methylpentyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
CID 103284237
2-methylpentyl 3-piperidin-4-yloxypropanoate
CID 103284367
methyl (2S)-2-[(3-methylpyrrolidine-2-carbonyl)amino]propanoate
CID 102778052
2-methyl-1-(3-methylpyrrolidin-2-yl)propan-1-one
CID 21338998
3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
CID 102779934

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 3-methylpyrrolidine-2-carboxylate?
The IUPAC name of 2-methylpentyl 3-methylpyrrolidine-2-carboxylate (CID 103284116) is 2-methylpentyl 3-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methylpentyl 3-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 2-methylpentyl 3-methylpyrrolidine-2-carboxylate is CCCC(C)COC(=O)C1NCCC1C.
What is the InChIKey of 2-methylpentyl 3-methylpyrrolidine-2-carboxylate?
The InChIKey is TWPWEONGIYOMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-9(2)8-15-12(14)11-10(3)6-7-13-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-methylpentyl 3-methylpyrrolidine-2-carboxylate?
2-methylpentyl 3-methylpyrrolidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 3-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 103284116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).