(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid

C15H18BrNO5 — CID 129468666

IUPAC(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid
SMILESCC(C)Oc1cc(Br)cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H18BrNO5/c1-9(2)22-12-6-10(5-11(16)7-12)14(18)17-3-4-21-13(8-17)15(19)20/h5-7,9,13H,3-4,8H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyJQZWNEIDVNQIRM-CYBMUJFWSA-N
MW372.22 g/mol
LogP2.16
Rot. Bonds4

About (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid

(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid (PubChem CID 129468666) has the molecular formula C15H18BrNO5 and a molecular weight of 372.22 g/mol. Its IUPAC name is (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid
PubChem CID129468666
Molecular FormulaC15H18BrNO5
Molecular Weight372.22 g/mol
Exact Mass371.04
IUPAC Name(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid
SMILESCC(C)Oc1cc(Br)cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C15H18BrNO5/c1-9(2)22-12-6-10(5-11(16)7-12)14(18)17-3-4-21-13(8-17)15(19)20/h5-7,9,13H,3-4,8H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyJQZWNEIDVNQIRM-CYBMUJFWSA-N
XLogP2.16
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 126794365
2-[1-(3-bromo-5-propan-2-yloxybenzoyl)piperidin-4-yl]acetic acid
CID 119178495
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
1-(3-bromo-5-propan-2-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113418
(2S)-4-(3-bromo-5-methylbenzoyl)-N-methylmorpholine-2-carboxamide
CID 99629408
(3-bromo-5-propan-2-yloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623046
4-[3-(difluoromethoxy)-4-methoxybenzoyl]morpholine-2-carboxylic acid
CID 119238801
4-[3-methoxy-4-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119357851
(2R)-4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]morpholine-2-carboxylic acid
CID 129468827
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid (CID 129468666) is (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid is CC(C)Oc1cc(Br)cc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1.
What is the InChIKey of (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid?
The InChIKey is JQZWNEIDVNQIRM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18BrNO5/c1-9(2)22-12-6-10(5-11(16)7-12)14(18)17-3-4-21-13(8-17)15(19)20/h5-7,9,13H,3-4,8H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid?
(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid has a molecular weight of 372.22 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 129468666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).