2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane

C16H35NO4 — CID 142048035

IUPAC2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane
SMILESC=O.CC(=O)ON1CCC[C@@H]1O.CC(C)(C)C.CC(C)C
InChIInChI=1S/C6H11NO3.C5H12.C4H10.CH2O/c1-5(8)10-7-4-2-3-6(7)9;1-5(2,3)4;1-4(2)3;1-2/h6,9H,2-4H2,1H3;1-4H3;4H,1-3H3;1H2/t6-;;;/m0.../s1
InChIKeyNBKGOLKGKFOERZ-GSUNZCPGSA-N
MW305.46 g/mol
LogP3.41
Rot. Bonds1

About 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane

2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane (PubChem CID 142048035) has the molecular formula C16H35NO4 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane.

Molecular Properties

Compound Name2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane
PubChem CID142048035
Molecular FormulaC16H35NO4
Molecular Weight305.46 g/mol
Exact Mass305.26
IUPAC Name2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane
SMILESC=O.CC(=O)ON1CCC[C@@H]1O.CC(C)(C)C.CC(C)C
InChIInChI=1S/C6H11NO3.C5H12.C4H10.CH2O/c1-5(8)10-7-4-2-3-6(7)9;1-5(2,3)4;1-4(2)3;1-2/h6,9H,2-4H2,1H3;1-4H3;4H,1-3H3;1H2/t6-;;;/m0.../s1
InChIKeyNBKGOLKGKFOERZ-GSUNZCPGSA-N
XLogP3.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
CID 130129550
(2-chloropyrrolidin-1-yl) acetate
CID 66933195
(2-ethylpiperidin-1-yl) acetate
CID 70168459
[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174811572
bis[(2R)-2-methylpyrrolidin-1-yl] 2,3-dihydroxybutanedioate
CID 66701885
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
1,4-dihydroxy-1,4-bis[(2-methylpyrrolidin-1-yl)oxy]butane-2,3-dione
CID 91356468
(2S)-1-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 89393310
1-cyclopentylethyl acetate
CID 12705472
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
CID 154860289

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane?
The IUPAC name of 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane (CID 142048035) is 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane.
What is the SMILES notation for 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane?
The canonical SMILES for 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane is C=O.CC(=O)ON1CCC[C@@H]1O.CC(C)(C)C.CC(C)C.
What is the InChIKey of 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane?
The InChIKey is NBKGOLKGKFOERZ-GSUNZCPGSA-N. The full InChI is InChI=1S/C6H11NO3.C5H12.C4H10.CH2O/c1-5(8)10-7-4-2-3-6(7)9;1-5(2,3)4;1-4(2)3;1-2/h6,9H,2-4H2,1H3;1-4H3;4H,1-3H3;1H2/t6-;;;/m0.../s1.
What are the key properties of 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane?
2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane has a molecular weight of 305.46 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane is sourced from PubChem (CID 142048035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).