(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid

C14H17NO4 — CID 124596295

IUPAC(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
SMILESCCc1ccccc1C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-2-10-5-3-4-6-11(10)13(16)15-7-8-19-9-12(15)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyFJEYCGLQVJBVDT-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds3

About (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid

(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid (PubChem CID 124596295) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
PubChem CID124596295
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
SMILESCCc1ccccc1C(=O)N1CCOC[C@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c1-2-10-5-3-4-6-11(10)13(16)15-7-8-19-9-12(15)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyFJEYCGLQVJBVDT-LBPRGKRZSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
CID 124513696
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
(3R)-4-[1-(2-methoxyethyl)indole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133249
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410
4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
CID 83104137
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
(3S)-4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl]morpholine-3-carboxylic acid
CID 125133068

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid (CID 124596295) is (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid is CCc1ccccc1C(=O)N1CCOC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid?
The InChIKey is FJEYCGLQVJBVDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-10-5-3-4-6-11(10)13(16)15-7-8-19-9-12(15)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid?
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124596295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).