[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate

C14H18ClNO3 — CID 807409

IUPAC[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
SMILESC[C@@H](CN1CCOCC1)OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyVWLLDDAHULZXOA-NSHDSACASA-N
MW283.75 g/mol
LogP2.22
Rot. Bonds4

About [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate

[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate (PubChem CID 807409) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
PubChem CID807409
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate
SMILESC[C@@H](CN1CCOCC1)OC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyVWLLDDAHULZXOA-NSHDSACASA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-ylpropan-2-yl 3-chlorobenzoate
CID 5094446
1-(4-methylpiperazin-1-yl)propan-2-yl 3-chlorobenzoate
CID 3152962
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
1-morpholin-4-ylpropan-2-yl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 654982
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
1-morpholin-4-ylpropan-2-yl 3,4-dimethoxybenzoate chloride
CID 53312685
[(2R)-1-morpholin-4-ylpropan-2-yl] 4-fluorobenzoate
CID 844363
1-morpholin-4-ylpropan-2-yl 4-tert-butylbenzoate
CID 3151287
4-methylpentan-2-yl 3-chlorobenzoate
CID 91716229
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
1-morpholin-4-ylpropan-2-yl 5-bromofuran-3-carboxylate
CID 84600441

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate?
The IUPAC name of [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate (CID 807409) is [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate.
What is the SMILES notation for [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate?
The canonical SMILES for [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate is C[C@@H](CN1CCOCC1)OC(=O)c1cccc(Cl)c1.
What is the InChIKey of [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate?
The InChIKey is VWLLDDAHULZXOA-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-11(10-16-5-7-18-8-6-16)19-14(17)12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate?
[(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate has a molecular weight of 283.75 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-morpholin-4-ylpropan-2-yl] 3-chlorobenzoate is sourced from PubChem (CID 807409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).