3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid

C14H18ClNO3 — CID 97094798

IUPAC3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)O
InChIInChI=1S/C14H18ClNO3/c1-10-9-19-13(8-16(10)7-6-14(17)18)11-4-2-3-5-12(11)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m1/s1
InChIKeyIXNPRHFWJWTDEO-ZWNOBZJWSA-N
MW283.75 g/mol
LogP2.58
Rot. Bonds4

About 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid

3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid (PubChem CID 97094798) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
PubChem CID97094798
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)O
InChIInChI=1S/C14H18ClNO3/c1-10-9-19-13(8-16(10)7-6-14(17)18)11-4-2-3-5-12(11)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m1/s1
InChIKeyIXNPRHFWJWTDEO-ZWNOBZJWSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920
N-carbamoyl-3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanamide
CID 95621900
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-methylbutan-2-ol
CID 97319822
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
(2S,5R)-2-(2-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)methyl]morpholine
CID 99792277
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
4-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]butanoic acid
CID 124564562
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid (CID 97094798) is 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid is C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1CCC(=O)O.
What is the InChIKey of 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid?
The InChIKey is IXNPRHFWJWTDEO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10-9-19-13(8-16(10)7-6-14(17)18)11-4-2-3-5-12(11)15/h2-5,10,13H,6-9H2,1H3,(H,17,18)/t10-,13-/m1/s1.
What are the key properties of 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid?
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid is sourced from PubChem (CID 97094798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).