(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid

C10H10BrNO5 — CID 125118869

IUPAC(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1coc(Br)c1
InChIInChI=1S/C10H10BrNO5/c11-8-3-6(4-17-8)9(13)12-1-2-16-5-7(12)10(14)15/h3-4,7H,1-2,5H2,(H,14,15)/t7-/m1/s1
InChIKeyZGHRKJDSFDBXDB-SSDOTTSWSA-N
MW304.10 g/mol
LogP0.97
Rot. Bonds2

About (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid

(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125118869) has the molecular formula C10H10BrNO5 and a molecular weight of 304.10 g/mol. Its IUPAC name is (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID125118869
Molecular FormulaC10H10BrNO5
Molecular Weight304.10 g/mol
Exact Mass302.97
IUPAC Name(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1coc(Br)c1
InChIInChI=1S/C10H10BrNO5/c11-8-3-6(4-17-8)9(13)12-1-2-16-5-7(12)10(14)15/h3-4,7H,1-2,5H2,(H,14,15)/t7-/m1/s1
InChIKeyZGHRKJDSFDBXDB-SSDOTTSWSA-N
XLogP0.97
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502
(3R)-4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylic acid
CID 124513317
(5-bromofuran-3-yl)-[3-(2-hydroxycyclopentyl)morpholin-4-yl]methanone
CID 128987926
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
(3R)-4-(5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbonyl)morpholine-3-carboxylic acid
CID 125133549
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-[3,5-bis(trifluoromethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216480
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl)morpholine-3-carboxylic acid
CID 167817659
(3R)-2-(5-bromofuran-3-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125149781

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid (CID 125118869) is (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)c1coc(Br)c1.
What is the InChIKey of (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is ZGHRKJDSFDBXDB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10BrNO5/c11-8-3-6(4-17-8)9(13)12-1-2-16-5-7(12)10(14)15/h3-4,7H,1-2,5H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid?
(3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 304.10 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-bromofuran-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).