[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate

C19H26FNO4 — CID 8935810

IUPAC[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26FNO4/c1-13(18(22)21-16-7-5-3-4-6-8-16)25-19(23)14(2)24-17-11-9-15(20)10-12-17/h9-14,16H,3-8H2,1-2H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyALELECUWARJMMJ-KBPBESRZSA-N
MW351.42 g/mol
LogP3.36
Rot. Bonds6

About [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate (PubChem CID 8935810) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
PubChem CID8935810
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26FNO4/c1-13(18(22)21-16-7-5-3-4-6-8-16)25-19(23)14(2)24-17-11-9-15(20)10-12-17/h9-14,16H,3-8H2,1-2H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyALELECUWARJMMJ-KBPBESRZSA-N
XLogP3.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
CID 7754794
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8637077
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 40722371
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate (CID 8935810) is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate is C[C@H](OC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
The InChIKey is ALELECUWARJMMJ-KBPBESRZSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-13(18(22)21-16-7-5-3-4-6-8-16)25-19(23)14(2)24-17-11-9-15(20)10-12-17/h9-14,16H,3-8H2,1-2H3,(H,21,22)/t13-,14-/m0/s1.
What are the key properties of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate?
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate has a molecular weight of 351.42 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 8935810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).