[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate

C15H18INO3 — CID 3463336

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
SMILESCC(OC(=O)c1ccccc1I)C(=O)NC1CCCC1
InChIInChI=1S/C15H18INO3/c1-10(14(18)17-11-6-2-3-7-11)20-15(19)12-8-4-5-9-13(12)16/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyPKDDUNLQBFYLGA-UHFFFAOYSA-N
MW387.22 g/mol
LogP2.90
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate (PubChem CID 3463336) has the molecular formula C15H18INO3 and a molecular weight of 387.22 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
PubChem CID3463336
Molecular FormulaC15H18INO3
Molecular Weight387.22 g/mol
Exact Mass387.03
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
SMILESCC(OC(=O)c1ccccc1I)C(=O)NC1CCCC1
InChIInChI=1S/C15H18INO3/c1-10(14(18)17-11-6-2-3-7-11)20-15(19)12-8-4-5-9-13(12)16/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyPKDDUNLQBFYLGA-UHFFFAOYSA-N
XLogP2.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786214
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate
CID 46815266
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
[(2S)-1-anilino-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509622
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-amino-3-chlorobenzoate
CID 78915543
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 46790669
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 5236107

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate (CID 3463336) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate is CC(OC(=O)c1ccccc1I)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate?
The InChIKey is PKDDUNLQBFYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO3/c1-10(14(18)17-11-6-2-3-7-11)20-15(19)12-8-4-5-9-13(12)16/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate has a molecular weight of 387.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate is sourced from PubChem (CID 3463336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).