(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid

C13H17NO5 — CID 124685287

IUPAC(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCCc1cc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO5/c1-3-9-6-8(2)11(19-9)12(15)14-4-5-18-10(7-14)13(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyMJRNDEXVJYBAKE-JTQLQIEISA-N
MW267.28 g/mol
LogP1.08
Rot. Bonds3

About (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124685287) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID124685287
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCCc1cc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)o1
InChIInChI=1S/C13H17NO5/c1-3-9-6-8(2)11(19-9)12(15)14-4-5-18-10(7-14)13(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyMJRNDEXVJYBAKE-JTQLQIEISA-N
XLogP1.08
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239343
(5-ethyl-3-methylfuran-2-yl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326599
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119357933
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
(5-bromo-3-methylfuran-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 56814055
1-(5-ethyl-3-methylfuran-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 126790611
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid (CID 124685287) is (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid is CCc1cc(C)c(C(=O)N2CCO[C@H](C(=O)O)C2)o1.
What is the InChIKey of (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is MJRNDEXVJYBAKE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-9-6-8(2)11(19-9)12(15)14-4-5-18-10(7-14)13(16)17/h6,10H,3-5,7H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124685287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).