methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate

C16H29NO3 — CID 58226565

IUPACmethyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)N1CCC[C@H]1C(C)C)C(C)(C)C
InChIInChI=1S/C16H29NO3/c1-11(2)13-8-7-9-17(13)15(19)12(16(3,4)5)10-14(18)20-6/h11-13H,7-10H2,1-6H3/t12-,13+/m1/s1
InChIKeyYPYQUEGMBWPNLJ-OLZOCXBDSA-N
MW283.41 g/mol
LogP2.86
Rot. Bonds4

About methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate

methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate (PubChem CID 58226565) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate.

Molecular Properties

Compound Namemethyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
PubChem CID58226565
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namemethyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
SMILESCOC(=O)C[C@H](C(=O)N1CCC[C@H]1C(C)C)C(C)(C)C
InChIInChI=1S/C16H29NO3/c1-11(2)13-8-7-9-17(13)15(19)12(16(3,4)5)10-14(18)20-6/h11-13H,7-10H2,1-6H3/t12-,13+/m1/s1
InChIKeyYPYQUEGMBWPNLJ-OLZOCXBDSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate with MolForge

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Related Compounds

methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
methyl N-[(2S,3S)-3-methyl-1-oxo-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]pentan-2-yl]carbamate
CID 58371708
methyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668
tert-butyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 106707539
ethane;methyl (2S)-1-[(2S)-3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]pyrrolidine-2-carboxylate
CID 144721286
2-fluoro-2-methyl-1-(2-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 130562121
(2S)-1-[(2S)-2-tert-butyl-5-methyl-4-oxoheptanoyl]pyrrolidine-2-carboxamide
CID 167404690
3-amino-1-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 124508505
methyl (3S)-4-methyl-3-[(2S,4S)-4-methyl-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate
CID 58226823
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
methyl 2,2-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)propanoate
CID 79621399
N,N-dimethyl-2-propan-2-ylpyrrolidine-1-carboxamide
CID 115593303

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate?
The IUPAC name of methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate (CID 58226565) is methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate.
What is the SMILES notation for methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate?
The canonical SMILES for methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate is COC(=O)C[C@H](C(=O)N1CCC[C@H]1C(C)C)C(C)(C)C.
What is the InChIKey of methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate?
The InChIKey is YPYQUEGMBWPNLJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)13-8-7-9-17(13)15(19)12(16(3,4)5)10-14(18)20-6/h11-13H,7-10H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate?
methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate has a molecular weight of 283.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4,4-dimethyl-3-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pentanoate is sourced from PubChem (CID 58226565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).