cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate

C28H37N3O5 — CID 87658971

IUPACcyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate
SMILESO=C(CCCCCCC(=O)Nc1ccc([C@H](NCC(=O)OC2CCCC2)c2ccccc2)cc1)NO
InChIInChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-22(17-19-23)28(21-10-4-3-5-11-21)29-20-27(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,28-29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t28-/m1/s1
InChIKeyGCEGJOSTODTXPZ-MUUNZHRXSA-N
MW495.62 g/mol
LogP4.64
Rot. Bonds14

About cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate

cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate (PubChem CID 87658971) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate
PubChem CID87658971
Molecular FormulaC28H37N3O5
Molecular Weight495.62 g/mol
Exact Mass495.27
IUPAC Namecyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate
SMILESO=C(CCCCCCC(=O)Nc1ccc([C@H](NCC(=O)OC2CCCC2)c2ccccc2)cc1)NO
InChIInChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-22(17-19-23)28(21-10-4-3-5-11-21)29-20-27(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,28-29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t28-/m1/s1
InChIKeyGCEGJOSTODTXPZ-MUUNZHRXSA-N
XLogP4.64
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate?
The IUPAC name of cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate (CID 87658971) is cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate.
What is the SMILES notation for cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate?
The canonical SMILES for cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate is O=C(CCCCCCC(=O)Nc1ccc([C@H](NCC(=O)OC2CCCC2)c2ccccc2)cc1)NO.
What is the InChIKey of cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate?
The InChIKey is GCEGJOSTODTXPZ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-22(17-19-23)28(21-10-4-3-5-11-21)29-20-27(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,28-29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t28-/m1/s1.
What are the key properties of cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate?
cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate has a molecular weight of 495.62 g/mol, XLogP of 4.64, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[[(R)-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-phenylmethyl]amino]acetate is sourced from PubChem (CID 87658971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).