ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate

C20H28N2O5 — CID 90686140

IUPACethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate
SMILESCCOC(=O)[C@H](CCC(=O)NO)NC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C20H28N2O5/c1-3-27-18(24)16(10-11-17(23)22-26)21-19(25)20(12-4-5-13-20)15-8-6-14(2)7-9-15/h6-9,16,26H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,23)/t16-/m0/s1
InChIKeyWEYDSRKYGORZFI-INIZCTEOSA-N
MW376.45 g/mol
LogP2.14
Rot. Bonds8

About ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate

ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate (PubChem CID 90686140) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate
PubChem CID90686140
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nameethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate
SMILESCCOC(=O)[C@H](CCC(=O)NO)NC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C20H28N2O5/c1-3-27-18(24)16(10-11-17(23)22-26)21-19(25)20(12-4-5-13-20)15-8-6-14(2)7-9-15/h6-9,16,26H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,23)/t16-/m0/s1
InChIKeyWEYDSRKYGORZFI-INIZCTEOSA-N
XLogP2.14
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
methyl (2S)-5-(hydroxyamino)-2-[4-(4-methylphenyl)butanoylamino]-5-oxopentanoate
CID 91067270
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
ethyl 5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]-2-propan-2-yloxybenzoate
CID 100745624
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528438
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl (2S)-3-(4-bromophenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoate
CID 91081896
ethyl 2-methoxy-5-[[1-(4-methylphenyl)cyclohexanecarbonyl]amino]benzoate
CID 100745600
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid
CID 119363993

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate?
The IUPAC name of ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate (CID 90686140) is ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate.
What is the SMILES notation for ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate?
The canonical SMILES for ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate is CCOC(=O)[C@H](CCC(=O)NO)NC(=O)C1(c2ccc(C)cc2)CCCC1.
What is the InChIKey of ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate?
The InChIKey is WEYDSRKYGORZFI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-3-27-18(24)16(10-11-17(23)22-26)21-19(25)20(12-4-5-13-20)15-8-6-14(2)7-9-15/h6-9,16,26H,3-5,10-13H2,1-2H3,(H,21,25)(H,22,23)/t16-/m0/s1.
What are the key properties of ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate?
ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate has a molecular weight of 376.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-5-(hydroxyamino)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-5-oxopentanoate is sourced from PubChem (CID 90686140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).