[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate

C15H18ClNO3 — CID 7838656

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
SMILESC[C@H](OC(=O)c1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H18ClNO3/c1-10(14(18)17-13-7-2-3-8-13)20-15(19)11-5-4-6-12(16)9-11/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyBWSFUEJLBQRRMY-JTQLQIEISA-N
MW295.77 g/mol
LogP2.94
Rot. Bonds4

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate (PubChem CID 7838656) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
PubChem CID7838656
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
SMILESC[C@H](OC(=O)c1cccc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C15H18ClNO3/c1-10(14(18)17-13-7-2-3-8-13)20-15(19)11-5-4-6-12(16)9-11/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyBWSFUEJLBQRRMY-JTQLQIEISA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7985171
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 7382068
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 3637168
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8620496
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42977769
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307143
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 7260959
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate (CID 7838656) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate is C[C@H](OC(=O)c1cccc(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
The InChIKey is BWSFUEJLBQRRMY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(14(18)17-13-7-2-3-8-13)20-15(19)11-5-4-6-12(16)9-11/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate has a molecular weight of 295.77 g/mol, XLogP of 2.94, 4 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] 3-chlorobenzoate is sourced from PubChem (CID 7838656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).