[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate

C15H18ClNO5 — CID 7803969

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Cl)c1)NC[C@@H]1CCCO1
InChIInChI=1S/C15H18ClNO5/c16-11-3-1-4-12(7-11)21-10-15(19)22-9-14(18)17-8-13-5-2-6-20-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,17,18)/t13-/m0/s1
InChIKeySKXSYKSMQNNPJT-ZDUSSCGKSA-N
MW327.76 g/mol
LogP1.56
Rot. Bonds7

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 7803969) has the molecular formula C15H18ClNO5 and a molecular weight of 327.76 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
PubChem CID7803969
Molecular FormulaC15H18ClNO5
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Cl)c1)NC[C@@H]1CCCO1
InChIInChI=1S/C15H18ClNO5/c16-11-3-1-4-12(7-11)21-10-15(19)22-9-14(18)17-8-13-5-2-6-20-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,17,18)/t13-/m0/s1
InChIKeySKXSYKSMQNNPJT-ZDUSSCGKSA-N
XLogP1.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluorophenoxy)acetate
CID 2369928
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9404420
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-propanoylphenoxy)acetate
CID 9291487
5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 5039250
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 874788
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803740
2-[3-(3-methylbutoxy)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 5059346
2-[3-(3-methylbutoxy)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2324006

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate (CID 7803969) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate is O=C(COC(=O)COc1cccc(Cl)c1)NC[C@@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is SKXSYKSMQNNPJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClNO5/c16-11-3-1-4-12(7-11)21-10-15(19)22-9-14(18)17-8-13-5-2-6-20-13/h1,3-4,7,13H,2,5-6,8-10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 327.76 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 7803969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).