ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate

C8H13NO3 — CID 86336109

IUPACethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate
SMILESCCOC(=O)C1=C(N)[C@@H](C)OC1
InChIInChI=1S/C8H13NO3/c1-3-11-8(10)6-4-12-5(2)7(6)9/h5H,3-4,9H2,1-2H3/t5-/m1/s1
InChIKeyOWGCXAHHNMWHLQ-RXMQYKEDSA-N
MW171.20 g/mol
LogP0.18
Rot. Bonds2

About ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate

ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate (PubChem CID 86336109) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate
PubChem CID86336109
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate
SMILESCCOC(=O)C1=C(N)[C@@H](C)OC1
InChIInChI=1S/C8H13NO3/c1-3-11-8(10)6-4-12-5(2)7(6)9/h5H,3-4,9H2,1-2H3/t5-/m1/s1
InChIKeyOWGCXAHHNMWHLQ-RXMQYKEDSA-N
XLogP0.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 54193100
ethyl 2-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyran-5-carboxylate
CID 176996413
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 3-amino-2-methyl-5-oxo-2H-furan-4-carboxylate
CID 15721679
diethyl 2,7-dimethyl-1,6-dioxaspiro[4.4]nona-2,7-diene-3,8-dicarboxylate
CID 15175272
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
ethyl 2-amino-3-propan-2-yloxycyclopentene-1-carboxylate
CID 139604542
diethyl 6-methylcyclohepta-1,3-diene-1,2-dicarboxylate
CID 66809538
ethyl 5-sulfanyl-3,6-dihydro-2H-pyran-4-carboxylate
CID 22026123
diethyl 2,6-dimethyl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate
CID 58624989
ethyl 2-amino-3-(2-methylpropoxy)cyclopentene-1-carboxylate
CID 139604554
ethyl 2-methyl-4-oxooxolane-3-carboxylate
CID 71628111

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate?
The IUPAC name of ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate (CID 86336109) is ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate.
What is the SMILES notation for ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate?
The canonical SMILES for ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate is CCOC(=O)C1=C(N)[C@@H](C)OC1.
What is the InChIKey of ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate?
The InChIKey is OWGCXAHHNMWHLQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-11-8(10)6-4-12-5(2)7(6)9/h5H,3-4,9H2,1-2H3/t5-/m1/s1.
What are the key properties of ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate?
ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-4-amino-5-methyl-2,5-dihydrofuran-3-carboxylate is sourced from PubChem (CID 86336109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).