(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide

C23H39N5O5 — CID 52933515

IUPAC(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC2(CC1)NCNC2=O
InChIInChI=1S/C23H39N5O5/c1-22(2,3)18(20(31)27-10-8-23(9-11-27)21(32)24-14-25-23)26-19(30)17(13-28(33)15-29)12-16-6-4-5-7-16/h15-18,25,33H,4-14H2,1-3H3,(H,24,32)(H,26,30)/t17-,18-/m1/s1
InChIKeyVQORAOZXPSVIOL-QZTJIDSGSA-N
MW465.60 g/mol
LogP0.60
Rot. Bonds8

About (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide

(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide (PubChem CID 52933515) has the molecular formula C23H39N5O5 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
PubChem CID52933515
Molecular FormulaC23H39N5O5
Molecular Weight465.60 g/mol
Exact Mass465.30
IUPAC Name(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
SMILESCC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC2(CC1)NCNC2=O
InChIInChI=1S/C23H39N5O5/c1-22(2,3)18(20(31)27-10-8-23(9-11-27)21(32)24-14-25-23)26-19(30)17(13-28(33)15-29)12-16-6-4-5-7-16/h15-18,25,33H,4-14H2,1-3H3,(H,24,32)(H,26,30)/t17-,18-/m1/s1
InChIKeyVQORAOZXPSVIOL-QZTJIDSGSA-N
XLogP0.60
TPSA131.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 50.60
H-Bond Donors ≤ 54
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

(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-(4,5,6,7-tetrafluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220896
N-[1-[2-[[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 72567596
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[4-(4,7-difluoro-1,3-dihydroisoindol-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74221028
benzyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-1,4-diazepane-1-carboxylate
CID 58893016
(2R)-2-(cyclopentylmethyl)-N-[(2S)-1-[(1R)-7-[(4-fluorophenyl)methyl]-3,7-diazabicyclo[4.1.0]heptan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 142706636
4-[1-[2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]piperidin-4-yl]oxy-N-methylbenzamide
CID 59979614
(2S)-N-[(2R)-1-[4-[(4-acetamidophenyl)methylamino]piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 91173682
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[3-(5-methyl-1,3-dihydroisoindol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 74220830
(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]-N-[(2S)-1-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide
CID 74220829
(2R)-N-[(2S)-1-[4-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 74221349
(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]-N-[(2S)-1-[4-(1H-indol-5-ylmethylamino)piperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]propanamide
CID 127044590
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-[(3R)-3-[methyl-[(2,4,5-trifluorophenyl)methyl]amino]pyrrolidin-1-yl]-1-oxobutan-2-yl]-3-[formyl(hydroxy)amino]propanamide
CID 78319357

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide (CID 52933515) is (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide is CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC2(CC1)NCNC2=O.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
The InChIKey is VQORAOZXPSVIOL-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H39N5O5/c1-22(2,3)18(20(31)27-10-8-23(9-11-27)21(32)24-14-25-23)26-19(30)17(13-28(33)15-29)12-16-6-4-5-7-16/h15-18,25,33H,4-14H2,1-3H3,(H,24,32)(H,26,30)/t17-,18-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide?
(2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide has a molecular weight of 465.60 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)butan-2-yl]-3-[formyl(hydroxy)amino]propanamide is sourced from PubChem (CID 52933515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).