methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

C14H20N2O4 — CID 62026904

IUPACmethyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H20N2O4/c1-10(13(17)15-9-11-5-4-8-20-11)16-7-3-6-12(16)14(18)19-2/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyVTVPRSNYLPXVTF-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds5

About methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 62026904) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
PubChem CID62026904
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H20N2O4/c1-10(13(17)15-9-11-5-4-8-20-11)16-7-3-6-12(16)14(18)19-2/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,15,17)
InChIKeyVTVPRSNYLPXVTF-UHFFFAOYSA-N
XLogP0.92
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-methylpiperidine-2-carboxylic acid
CID 107072033
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
N-(furan-2-ylmethyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62274448
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
N-(furan-2-ylmethyl)-2-(2-methylpiperazin-1-yl)propanamide
CID 62671401
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (CID 62026904) is methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(C)C(=O)NCc1ccco1.
What is the InChIKey of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is VTVPRSNYLPXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(13(17)15-9-11-5-4-8-20-11)16-7-3-6-12(16)14(18)19-2/h4-5,8,10,12H,3,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62026904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).