[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate

C20H27NO5 — CID 8735606

IUPAC[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)O[C@@H](C)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H27NO5/c1-14(22)16-8-7-11-18(12-16)25-13-19(23)26-15(2)20(24)21-17-9-5-3-4-6-10-17/h7-8,11-12,15,17H,3-6,9-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyWPGZQSOUZWOOSP-HNNXBMFYSA-N
MW361.44 g/mol
LogP3.04
Rot. Bonds7

About [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate (PubChem CID 8735606) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
PubChem CID8735606
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
SMILESCC(=O)c1cccc(OCC(=O)O[C@@H](C)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C20H27NO5/c1-14(22)16-8-7-11-18(12-16)25-13-19(23)26-15(2)20(24)21-17-9-5-3-4-6-10-17/h7-8,11-12,15,17H,3-6,9-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyWPGZQSOUZWOOSP-HNNXBMFYSA-N
XLogP3.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903020
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7902922
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 42968778
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 7853365
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750619
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598408

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
The IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate (CID 8735606) is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
The canonical SMILES for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate is CC(=O)c1cccc(OCC(=O)O[C@@H](C)C(=O)NC2CCCCCC2)c1.
What is the InChIKey of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
The InChIKey is WPGZQSOUZWOOSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-14(22)16-8-7-11-18(12-16)25-13-19(23)26-15(2)20(24)21-17-9-5-3-4-6-10-17/h7-8,11-12,15,17H,3-6,9-10,13H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate?
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate has a molecular weight of 361.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate is sourced from PubChem (CID 8735606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).