(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid

C14H16ClNO5 — CID 124513402

IUPAC(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C14H16ClNO5/c15-10-3-1-2-4-12(10)21-7-5-13(17)16-6-8-20-9-11(16)14(18)19/h1-4,11H,5-9H2,(H,18,19)/t11-/m0/s1
InChIKeyDAOYQNCCSFYPEI-NSHDSACASA-N
MW313.74 g/mol
LogP1.42
Rot. Bonds5

About (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid

(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid (PubChem CID 124513402) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
PubChem CID124513402
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)CCOc1ccccc1Cl
InChIInChI=1S/C14H16ClNO5/c15-10-3-1-2-4-12(10)21-7-5-13(17)16-6-8-20-9-11(16)14(18)19/h1-4,11H,5-9H2,(H,18,19)/t11-/m0/s1
InChIKeyDAOYQNCCSFYPEI-NSHDSACASA-N
XLogP1.42
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
CID 119216664
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
3-(2-chlorophenoxy)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81196288
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126784174
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid (CID 124513402) is (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)CCOc1ccccc1Cl.
What is the InChIKey of (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is DAOYQNCCSFYPEI-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClNO5/c15-10-3-1-2-4-12(10)21-7-5-13(17)16-6-8-20-9-11(16)14(18)19/h1-4,11H,5-9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid?
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).