[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate

C17H21BrN2O5 — CID 37290830

IUPAC[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1cccc(Br)c1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C17H21BrN2O5/c1-11(16(22)20-17(23)19-13-6-2-3-7-13)25-15(21)10-24-14-8-4-5-12(18)9-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,19,20,22,23)/t11-/m1/s1
InChIKeySSFZQRKGOTVEFF-LLVKDONJSA-N
MW413.27 g/mol
LogP2.53
Rot. Bonds6

About [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate

[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate (PubChem CID 37290830) has the molecular formula C17H21BrN2O5 and a molecular weight of 413.27 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
PubChem CID37290830
Molecular FormulaC17H21BrN2O5
Molecular Weight413.27 g/mol
Exact Mass412.06
IUPAC Name[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1cccc(Br)c1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C17H21BrN2O5/c1-11(16(22)20-17(23)19-13-6-2-3-7-13)25-15(21)10-24-14-8-4-5-12(18)9-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,19,20,22,23)/t11-/m1/s1
InChIKeySSFZQRKGOTVEFF-LLVKDONJSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 7970509
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 18274282
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 7842569
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735606
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 7840127
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 7903020
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate (CID 37290830) is [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate is C[C@@H](OC(=O)COc1cccc(Br)c1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
The InChIKey is SSFZQRKGOTVEFF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21BrN2O5/c1-11(16(22)20-17(23)19-13-6-2-3-7-13)25-15(21)10-24-14-8-4-5-12(18)9-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H2,19,20,22,23)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate?
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate has a molecular weight of 413.27 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 37290830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).