(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate

C13H14NO5- — CID 86324765

IUPAC(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
SMILESO=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/p-1/t11-/m0/s1
InChIKeyAVQCLRKABAZVMZ-NSHDSACASA-M
MW264.26 g/mol
LogP-0.23
Rot. Bonds3

About (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate

(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate (PubChem CID 86324765) has the molecular formula C13H14NO5- and a molecular weight of 264.26 g/mol. Its IUPAC name is (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate.

Molecular Properties

Compound Name(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
PubChem CID86324765
Molecular FormulaC13H14NO5-
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
SMILESO=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/p-1/t11-/m0/s1
InChIKeyAVQCLRKABAZVMZ-NSHDSACASA-M
XLogP-0.23
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
1-phenylmethoxycarbonylpyrrolidine-3-carboxylate
CID 74447193
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl 2-(3-bromocyclobutyl)morpholine-4-carboxylate
CID 164545661
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate?
The IUPAC name of (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate (CID 86324765) is (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate.
What is the SMILES notation for (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate?
The canonical SMILES for (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate is O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate?
The InChIKey is AVQCLRKABAZVMZ-NSHDSACASA-M. The full InChI is InChI=1S/C13H15NO5/c15-12(16)11-8-14(6-7-18-11)13(17)19-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)/p-1/t11-/m0/s1.
What are the key properties of (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate?
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate has a molecular weight of 264.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate is sourced from PubChem (CID 86324765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).