(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide

C19H28N4O5 — CID 138607245

IUPAC(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCCCC[C@H](CC(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccno1)CN(O)C=O
InChIInChI=1S/C19H28N4O5/c1-2-3-4-14(11-22(27)13-24)9-17(25)23-12-19(6-7-19)10-15(23)18(26)21-16-5-8-20-28-16/h5,8,13-15,27H,2-4,6-7,9-12H2,1H3,(H,21,26)/t14-,15+/m1/s1
InChIKeyKMKSKMHCZDBKOG-CABCVRRESA-N
MW392.46 g/mol
LogP2.04
Rot. Bonds10

About (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide

(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 138607245) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID138607245
Molecular FormulaC19H28N4O5
Molecular Weight392.46 g/mol
Exact Mass392.21
IUPAC Name(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide
SMILESCCCC[C@H](CC(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccno1)CN(O)C=O
InChIInChI=1S/C19H28N4O5/c1-2-3-4-14(11-22(27)13-24)9-17(25)23-12-19(6-7-19)10-15(23)18(26)21-16-5-8-20-28-16/h5,8,13-15,27H,2-4,6-7,9-12H2,1H3,(H,21,26)/t14-,15+/m1/s1
InChIKeyKMKSKMHCZDBKOG-CABCVRRESA-N
XLogP2.04
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6S)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-pyrimidin-4-yl-5-azaspiro[2.4]heptane-6-carboxamide
CID 138728803
(6S)-5-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(1-hydroxy-5-methylpyridin-1-ium-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 157415808
N-[2-(6-formyl-5-azaspiro[2.4]heptane-5-carbonyl)hexyl]-N-hydroxyformamide
CID 145399161
N-[(2R)-2-[(6S)-6-formyl-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]-N-hydroxyformamide
CID 138641157
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 138607301
(6S)-5-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(furan-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 157200656
5-[2-[2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1,3-oxazol-2-yl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 138641112
(2S)-1-[(2S)-2-[[formyl(hydroxy)amino]methyl]hexyl]-N-(4-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763284
(6S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(1S)-2-cyclopentyl-1-[[formyl(hydroxy)amino]methyl]cyclopropanecarbonyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 145399134
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
(2S,4R)-4-fluoro-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 24849322
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide (CID 138607245) is (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide is CCCC[C@H](CC(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ccno1)CN(O)C=O.
What is the InChIKey of (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is KMKSKMHCZDBKOG-CABCVRRESA-N. The full InChI is InChI=1S/C19H28N4O5/c1-2-3-4-14(11-22(27)13-24)9-17(25)23-12-19(6-7-19)10-15(23)18(26)21-16-5-8-20-28-16/h5,8,13-15,27H,2-4,6-7,9-12H2,1H3,(H,21,26)/t14-,15+/m1/s1.
What are the key properties of (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide?
(6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-[(3R)-3-[[formyl(hydroxy)amino]methyl]heptanoyl]-N-(1,2-oxazol-5-yl)-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 138607245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).