ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate

C14H26N2O7S — CID 97342113

IUPACethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C14H26N2O7S/c1-4-22-13(17)9-15-14(18)12-10-21-6-5-16(12)24(19,20)8-7-23-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyRENPKPYABCMBTG-GFCCVEGCSA-N
MW366.44 g/mol
LogP-0.88
Rot. Bonds9

About ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate

ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate (PubChem CID 97342113) has the molecular formula C14H26N2O7S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate
PubChem CID97342113
Molecular FormulaC14H26N2O7S
Molecular Weight366.44 g/mol
Exact Mass366.15
IUPAC Nameethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CCOC(C)C
InChIInChI=1S/C14H26N2O7S/c1-4-22-13(17)9-15-14(18)12-10-21-6-5-16(12)24(19,20)8-7-23-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyRENPKPYABCMBTG-GFCCVEGCSA-N
XLogP-0.88
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate (CID 97342113) is ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate is CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CCOC(C)C.
What is the InChIKey of ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate?
The InChIKey is RENPKPYABCMBTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O7S/c1-4-22-13(17)9-15-14(18)12-10-21-6-5-16(12)24(19,20)8-7-23-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate?
ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate has a molecular weight of 366.44 g/mol, XLogP of -0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3R)-4-(2-propan-2-yloxyethylsulfonyl)morpholine-3-carbonyl]amino]acetate is sourced from PubChem (CID 97342113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).