3-(methoxymethyl)pyrrolidine-1-carboxylate

C7H12NO3- — CID 131747487

IUPAC3-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CCN(C(=O)[O-])C1
InChIInChI=1S/C7H13NO3/c1-11-5-6-2-3-8(4-6)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1
InChIKeyVNYXEDRXVSDRLZ-UHFFFAOYSA-M
MW158.18 g/mol
LogP-0.70
Rot. Bonds2

About 3-(methoxymethyl)pyrrolidine-1-carboxylate

3-(methoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 131747487) has the molecular formula C7H12NO3- and a molecular weight of 158.18 g/mol. Its IUPAC name is 3-(methoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-(methoxymethyl)pyrrolidine-1-carboxylate
PubChem CID131747487
Molecular FormulaC7H12NO3-
Molecular Weight158.18 g/mol
Exact Mass158.08
IUPAC Name3-(methoxymethyl)pyrrolidine-1-carboxylate
SMILESCOCC1CCN(C(=O)[O-])C1
InChIInChI=1S/C7H13NO3/c1-11-5-6-2-3-8(4-6)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1
InChIKeyVNYXEDRXVSDRLZ-UHFFFAOYSA-M
XLogP-0.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
N,N-diethyl-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 115642604
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 129370989
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
(E)-4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-4-oxobut-2-enoic acid
CID 129370986
2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322639
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-methylamino]acetic acid
CID 64597214
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114092440
5-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 107910170
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of 3-(methoxymethyl)pyrrolidine-1-carboxylate (CID 131747487) is 3-(methoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-(methoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 3-(methoxymethyl)pyrrolidine-1-carboxylate is COCC1CCN(C(=O)[O-])C1.
What is the InChIKey of 3-(methoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is VNYXEDRXVSDRLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO3/c1-11-5-6-2-3-8(4-6)7(9)10/h6H,2-5H2,1H3,(H,9,10)/p-1.
What are the key properties of 3-(methoxymethyl)pyrrolidine-1-carboxylate?
3-(methoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 158.18 g/mol, XLogP of -0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 131747487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).