ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate

C12H25NO3 — CID 143059682

IUPACethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCC.COC[C@@H]1CCCN1C(=O)OC(C)C
InChIInChI=1S/C10H19NO3.C2H6/c1-8(2)14-10(12)11-6-4-5-9(11)7-13-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3/t9-;/m0./s1
InChIKeyWZSAHMSMGBVSIV-FVGYRXGTSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds3

About ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate

ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 143059682) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID143059682
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Nameethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCC.COC[C@@H]1CCCN1C(=O)OC(C)C
InChIInChI=1S/C10H19NO3.C2H6/c1-8(2)14-10(12)11-6-4-5-9(11)7-13-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3/t9-;/m0./s1
InChIKeyWZSAHMSMGBVSIV-FVGYRXGTSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-Butoxycarbonyl)-D-prolinol
CID 688279
tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 550865
(S)-(-)-N-Boc-prolinol
CID 643448
tert-butyl (2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 20648577
[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methyl carbamate
CID 72545098
1,1-Dimethylethyl (2S,4S)-2-(hydroxymethyl)-4-methoxy-1-pyrrolidinecarboxylate
CID 58985023
Tert-butyl (2r,4r)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 67223196
tert-butyl (2R,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 90793086
tert-Butyl (2S)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566961
(1-Acetylpyrrolidin-2-yl)methyl acetate
CID 297353
tert-butyl (2S)-2-[(aminooxy)methyl]pyrrolidine-1-carboxylate
CID 11218194
1,1-Dimethylethyl (2R)-2-[(aminooxy)methyl]-1-pyrrolidinecarboxylate
CID 11413283

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate (CID 143059682) is ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate is CC.COC[C@@H]1CCCN1C(=O)OC(C)C.
What is the InChIKey of ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is WZSAHMSMGBVSIV-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H19NO3.C2H6/c1-8(2)14-10(12)11-6-4-5-9(11)7-13-3;1-2/h8-9H,4-7H2,1-3H3;1-2H3/t9-;/m0./s1.
What are the key properties of ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate?
ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 231.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 143059682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).