methyl 3-phenoxypyrrolidine-1-carboxylate

C12H15NO3 — CID 58171478

IUPACmethyl 3-phenoxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(Oc2ccccc2)C1
InChIInChI=1S/C12H15NO3/c1-15-12(14)13-8-7-11(9-13)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyAEYPSXNWOPABLW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.91
Rot. Bonds2

About methyl 3-phenoxypyrrolidine-1-carboxylate

methyl 3-phenoxypyrrolidine-1-carboxylate (PubChem CID 58171478) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 3-phenoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenoxypyrrolidine-1-carboxylate
PubChem CID58171478
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 3-phenoxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(Oc2ccccc2)C1
InChIInChI=1S/C12H15NO3/c1-15-12(14)13-8-7-11(9-13)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyAEYPSXNWOPABLW-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-phenoxypiperidine-1-carboxylate
CID 110605413
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
1-[4-[(3R)-3-phenoxypyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126441920
1-[4-(3-phenoxypyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 118782186
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
4-fluoro-1-(3-phenoxypyrrolidin-1-yl)pent-4-en-1-one
CID 156714630
3-phenoxy-N-(2-propan-2-ylsulfanylethyl)pyrrolidine-1-carboxamide
CID 122561495
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
[(3R)-3-phenoxypyrrolidin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 95627869

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenoxypyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-phenoxypyrrolidine-1-carboxylate (CID 58171478) is methyl 3-phenoxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-phenoxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-phenoxypyrrolidine-1-carboxylate is COC(=O)N1CCC(Oc2ccccc2)C1.
What is the InChIKey of methyl 3-phenoxypyrrolidine-1-carboxylate?
The InChIKey is AEYPSXNWOPABLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-12(14)13-8-7-11(9-13)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of methyl 3-phenoxypyrrolidine-1-carboxylate?
methyl 3-phenoxypyrrolidine-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 58171478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).