[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate

C11H19NO3 — CID 130184633

IUPAC[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate
SMILESC[C@H]1C[C@@H](OC=O)N(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H19NO3/c1-8-5-9(15-7-13)12(6-8)10(14)11(2,3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyMWVYTLNCCPVOFZ-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds2

About [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate

[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate (PubChem CID 130184633) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate.

Molecular Properties

Compound Name[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate
PubChem CID130184633
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate
SMILESC[C@H]1C[C@@H](OC=O)N(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H19NO3/c1-8-5-9(15-7-13)12(6-8)10(14)11(2,3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyMWVYTLNCCPVOFZ-DTWKUNHWSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 51082625
[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-(trifluoromethyl)pyrrolidin-2-yl] formate
CID 130184858
[(2R)-1-(2-methylpropanoyl)pyrrolidin-2-yl] acetate
CID 57597658
[1-(3-Methylbutanoyl)pyrrolidin-2-yl] formate
CID 58134026
(1-Acetyl-4-methylpyrrolidin-2-yl) formate
CID 58475193
[1-(3-Aminopropanoyl)-4-methylpyrrolidin-2-yl] formate
CID 58475196
Methyl 1-(2,2-dimethylpropanoyl)pyrrolidine-3-carboxylate
CID 59009534
1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 59440881
[(2S)-1-acetylpyrrolidin-2-yl] 2,2-dimethylpropanoate
CID 60077367
1-[3-(Methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64592047
(1-Acetylpyrrolidin-3-yl)methyl formate
CID 87293161
(1-Acetylpyrrolidin-2-yl) formate
CID 88555311

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate?
The IUPAC name of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate (CID 130184633) is [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate.
What is the SMILES notation for [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate?
The canonical SMILES for [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate is C[C@H]1C[C@@H](OC=O)N(C(=O)C(C)(C)C)C1.
What is the InChIKey of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate?
The InChIKey is MWVYTLNCCPVOFZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-5-9(15-7-13)12(6-8)10(14)11(2,3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate?
[(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate has a molecular weight of 213.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-(2,2-dimethylpropanoyl)-4-methylpyrrolidin-2-yl] formate is sourced from PubChem (CID 130184633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).