methyl (3S)-3-methoxypyrrolidine-1-carboxylate

C7H13NO3 — CID 58826696

IUPACmethyl (3S)-3-methoxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](OC)C1
InChIInChI=1S/C7H13NO3/c1-10-6-3-4-8(5-6)7(9)11-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMMHUMIZHANGVQD-LURJTMIESA-N
MW159.19 g/mol
LogP0.47
Rot. Bonds1

About methyl (3S)-3-methoxypyrrolidine-1-carboxylate

methyl (3S)-3-methoxypyrrolidine-1-carboxylate (PubChem CID 58826696) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is methyl (3S)-3-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-methoxypyrrolidine-1-carboxylate
PubChem CID58826696
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemethyl (3S)-3-methoxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](OC)C1
InChIInChI=1S/C7H13NO3/c1-10-6-3-4-8(5-6)7(9)11-2/h6H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyMMHUMIZHANGVQD-LURJTMIESA-N
XLogP0.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229138
1-(3-methoxypyrrolidin-1-yl)-2-(methylamino)ethanone
CID 83628524
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
CID 70427418
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-methoxypyrrolidine-1-carboxylate?
The IUPAC name of methyl (3S)-3-methoxypyrrolidine-1-carboxylate (CID 58826696) is methyl (3S)-3-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3S)-3-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3S)-3-methoxypyrrolidine-1-carboxylate is COC(=O)N1CC[C@H](OC)C1.
What is the InChIKey of methyl (3S)-3-methoxypyrrolidine-1-carboxylate?
The InChIKey is MMHUMIZHANGVQD-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-6-3-4-8(5-6)7(9)11-2/h6H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (3S)-3-methoxypyrrolidine-1-carboxylate?
methyl (3S)-3-methoxypyrrolidine-1-carboxylate has a molecular weight of 159.19 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 58826696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).