[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate

C16H19Cl2NO3 — CID 7724779

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H19Cl2NO3/c1-10(16(21)19-12-4-2-3-5-12)22-15(20)9-11-6-7-13(17)14(18)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyXUVNSOAGRJKFGW-JTQLQIEISA-N
MW344.24 g/mol
LogP3.53
Rot. Bonds5

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 7724779) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
PubChem CID7724779
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H19Cl2NO3/c1-10(16(21)19-12-4-2-3-5-12)22-15(20)9-11-6-7-13(17)14(18)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyXUVNSOAGRJKFGW-JTQLQIEISA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate (CID 7724779) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate is C[C@H](OC(=O)Cc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is XUVNSOAGRJKFGW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c1-10(16(21)19-12-4-2-3-5-12)22-15(20)9-11-6-7-13(17)14(18)8-11/h6-8,10,12H,2-5,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 344.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 7724779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).