(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid

C16H27NO6 — CID 59493635

IUPAC(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid
SMILESCOC(=O)[C@H](CCCCCCC(=O)O)NC(=O)OC1CCCC1
InChIInChI=1S/C16H27NO6/c1-22-15(20)13(10-4-2-3-5-11-14(18)19)17-16(21)23-12-8-6-7-9-12/h12-13H,2-11H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyHVMXRBKFGYQHNA-ZDUSSCGKSA-N
MW329.39 g/mol
LogP2.62
Rot. Bonds10

About (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid

(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid (PubChem CID 59493635) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid.

Molecular Properties

Compound Name(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid
PubChem CID59493635
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid
SMILESCOC(=O)[C@H](CCCCCCC(=O)O)NC(=O)OC1CCCC1
InChIInChI=1S/C16H27NO6/c1-22-15(20)13(10-4-2-3-5-11-14(18)19)17-16(21)23-12-8-6-7-9-12/h12-13H,2-11H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyHVMXRBKFGYQHNA-ZDUSSCGKSA-N
XLogP2.62
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-9-amino-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
CID 141217799
19-methoxy-18-methyl-19-oxononadecanoic acid
CID 89462442
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
(2S)-2-(cyclopentyloxycarbonylamino)-9-oxononanoic acid
CID 141217809
8,9-bis(methoxycarbonyl)hexadecanedioic acid
CID 88773902
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
8-hydroperoxy-7-methyl-8-oxooctanoic acid
CID 87972383
6-cyclohexyloxy-6-oxohexanoic acid
CID 175099277
methyl (2R)-2-(cyclopentyloxycarbonylamino)-3-(2,4-dichlorophenyl)propanoate
CID 70875789
dimethyl 2-acetamidononanedioate
CID 71387450
methyl 2-(cyclopentylamino)nonanoate
CID 54894298
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid
CID 12879022

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid?
The IUPAC name of (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid (CID 59493635) is (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid.
What is the SMILES notation for (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid?
The canonical SMILES for (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid is COC(=O)[C@H](CCCCCCC(=O)O)NC(=O)OC1CCCC1.
What is the InChIKey of (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid?
The InChIKey is HVMXRBKFGYQHNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27NO6/c1-22-15(20)13(10-4-2-3-5-11-14(18)19)17-16(21)23-12-8-6-7-9-12/h12-13H,2-11H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1.
What are the key properties of (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid?
(8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid has a molecular weight of 329.39 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(cyclopentyloxycarbonylamino)-9-methoxy-9-oxononanoic acid is sourced from PubChem (CID 59493635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).