methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate

C16H27NO3 — CID 14465396

IUPACmethyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(C)C)CC[C@]1(C)C(=O)N1CCCC1
InChIInChI=1S/C16H27NO3/c1-11(2)12-7-8-16(3,13(12)14(18)20-4)15(19)17-9-5-6-10-17/h11-13H,5-10H2,1-4H3/t12-,13-,16-/m0/s1
InChIKeyKLQMFMYZTPVWCE-XEZPLFJOSA-N
MW281.40 g/mol
LogP2.47
Rot. Bonds3

About methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate

methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate (PubChem CID 14465396) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate
PubChem CID14465396
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Namemethyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](C(C)C)CC[C@]1(C)C(=O)N1CCCC1
InChIInChI=1S/C16H27NO3/c1-11(2)12-7-8-16(3,13(12)14(18)20-4)15(19)17-9-5-6-10-17/h11-13H,5-10H2,1-4H3/t12-,13-,16-/m0/s1
InChIKeyKLQMFMYZTPVWCE-XEZPLFJOSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate (CID 14465396) is methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate is COC(=O)[C@@H]1[C@H](C(C)C)CC[C@]1(C)C(=O)N1CCCC1.
What is the InChIKey of methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate?
The InChIKey is KLQMFMYZTPVWCE-XEZPLFJOSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11(2)12-7-8-16(3,13(12)14(18)20-4)15(19)17-9-5-6-10-17/h11-13H,5-10H2,1-4H3/t12-,13-,16-/m0/s1.
What are the key properties of methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate?
methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,5S)-2-methyl-5-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 14465396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).