[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate

C14H19NO5 — CID 1470028

IUPAC[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
SMILESCC[C@@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H19NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyNPMCFNKFTWIRDY-GHMZBOCLSA-N
MW281.31 g/mol
LogP1.51
Rot. Bonds6

About [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate

[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate (PubChem CID 1470028) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
PubChem CID1470028
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
SMILESCC[C@@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H19NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyNPMCFNKFTWIRDY-GHMZBOCLSA-N
XLogP1.51
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
CID 1470209
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567
oxolan-2-ylmethyl furan-2-carboxylate
CID 551325
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxobutan-2-yl] furan-2-carboxylate
CID 1470024
2-benzylsulfanyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 134040205
[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
N-[2-(4-ethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]anilino)-2-oxoethyl]furan-2-carboxamide
CID 25316011

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate (CID 1470028) is [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate is CC[C@@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate?
The InChIKey is NPMCFNKFTWIRDY-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19NO5/c1-2-11(20-14(17)12-6-4-8-19-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate?
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 1470028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).