(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide

C22H29N3O4 — CID 172991396

IUPAC(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide
SMILESO=C(CC(CC1CCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)c2ccccn2)C1)NO
InChIInChI=1S/C22H29N3O4/c26-19(24-29)12-16(11-15-5-1-2-6-15)21(28)25-10-8-22(14-25)13-17(22)20(27)18-7-3-4-9-23-18/h3-4,7,9,15-17,29H,1-2,5-6,8,10-14H2,(H,24,26)/t16?,17-,22?/m1/s1
InChIKeyYYJSGSOLKPVVPM-PSCUFVCCSA-N
MW399.49 g/mol
LogP2.59
Rot. Bonds7

About (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide

(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide (PubChem CID 172991396) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide
PubChem CID172991396
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide
SMILESO=C(CC(CC1CCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)c2ccccn2)C1)NO
InChIInChI=1S/C22H29N3O4/c26-19(24-29)12-16(11-15-5-1-2-6-15)21(28)25-10-8-22(14-25)13-17(22)20(27)18-7-3-4-9-23-18/h3-4,7,9,15-17,29H,1-2,5-6,8,10-14H2,(H,24,26)/t16?,17-,22?/m1/s1
InChIKeyYYJSGSOLKPVVPM-PSCUFVCCSA-N
XLogP2.59
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
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

(2R,3R)-5-(2-cyclopentylacetyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493139
3-(cyclopentylmethyl)-N-hydroxy-4-[3-(morpholine-4-carbonyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
CID 123968517
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(cyclopentylmethyl)-N-hydroxy-4-oxobutanamide
CID 142811772
(2S,3S)-N-methyl-5-(2-methylpropanoyl)-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396726
(2S,3R)-5-N-cyclopentyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493132
(2R,3S)-2-N-methyl-5-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493125
2-N,5-N,5-N-trimethyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 134072548
(3S)-2-[(2R)-2-(cyclopentylmethyl)-4-(hydroxyamino)-4-oxobutanoyl]-N,N-dimethyl-3,4-dihydropyrazole-3-carboxamide
CID 86706402
[(1R,2R)-2-hydroxy-2-pyridin-2-ylcyclopentyl]-pyridin-2-ylmethanone
CID 10849496
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-[(2-phenylacetyl)amino]piperidin-1-yl]butan-2-yl]-N'-hydroxybutanediamide
CID 11962306
2-(cyclohexylmethyl)-3,3-dimethyl-1-pyridin-2-ylbutan-1-one
CID 57105368
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide?
The IUPAC name of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide (CID 172991396) is (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide.
What is the SMILES notation for (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide?
The canonical SMILES for (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide is O=C(CC(CC1CCCC1)C(=O)N1CCC2(C[C@@H]2C(=O)c2ccccn2)C1)NO.
What is the InChIKey of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide?
The InChIKey is YYJSGSOLKPVVPM-PSCUFVCCSA-N. The full InChI is InChI=1S/C22H29N3O4/c26-19(24-29)12-16(11-15-5-1-2-6-15)21(28)25-10-8-22(14-25)13-17(22)20(27)18-7-3-4-9-23-18/h3-4,7,9,15-17,29H,1-2,5-6,8,10-14H2,(H,24,26)/t16?,17-,22?/m1/s1.
What are the key properties of (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide?
(3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide has a molecular weight of 399.49 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-[(2S)-2-(pyridine-2-carbonyl)-5-azaspiro[2.4]heptan-5-yl]butanamide is sourced from PubChem (CID 172991396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).