cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate

C21H30N2O5 — CID 59918989

IUPACcyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate
SMILESCCCC[C@H](CN(O)C=O)C(=O)NC(C(=O)OC1CCCC1)c1ccccc1
InChIInChI=1S/C21H30N2O5/c1-2-3-9-17(14-23(27)15-24)20(25)22-19(16-10-5-4-6-11-16)21(26)28-18-12-7-8-13-18/h4-6,10-11,15,17-19,27H,2-3,7-9,12-14H2,1H3,(H,22,25)/t17-,19?/m1/s1
InChIKeyRPAATDRKFBYBOT-DUSLRRAJSA-N
MW390.48 g/mol
LogP2.98
Rot. Bonds11

About cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate

cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate (PubChem CID 59918989) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namecyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate
PubChem CID59918989
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Namecyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate
SMILESCCCC[C@H](CN(O)C=O)C(=O)NC(C(=O)OC1CCCC1)c1ccccc1
InChIInChI=1S/C21H30N2O5/c1-2-3-9-17(14-23(27)15-24)20(25)22-19(16-10-5-4-6-11-16)21(26)28-18-12-7-8-13-18/h4-6,10-11,15,17-19,27H,2-3,7-9,12-14H2,1H3,(H,22,25)/t17-,19?/m1/s1
InChIKeyRPAATDRKFBYBOT-DUSLRRAJSA-N
XLogP2.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(2S)-1-cyclopentyloxy-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]hexyl]amino] benzoate
CID 142000333
(2S)-2-(2-ethylhexanoylamino)-2-phenylacetic acid
CID 104896986
benzyl 2-(dimethylcarbamoyl)-4-[2-[[formyl(hydroxy)amino]methyl]hexanoylamino]butanoate
CID 87947779
N-[1-[benzyl(2-phenylethyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
CID 22096262
2-[[2-benzyl-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylhexanoic acid
CID 22673435
(2R)-2-[[formyl(hydroxy)amino]methyl]-N-[(2S)-1-(furan-2-yl)-3,3-dimethyl-1-oxobutan-2-yl]hexanamide
CID 21305227
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
(4S)-3-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[(1S)-1-phenylethyl]-1,3-oxazolidine-4-carboxamide
CID 25210734
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide;(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(phenylmethoxy)amino]methyl]hexanamide
CID 158362695
N-(2-acetylhexyl)-N-hydroxyformamide
CID 142881718
benzyl 4-[(2S)-2-[[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]amino]-3,3-dimethylbutanoyl]-1,4-diazepane-1-carboxylate
CID 58893016
N-hydroxy-N-[(2S)-2-[(pyridin-2-ylamino)carbamoyl]heptyl]formamide
CID 23351789

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate?
The IUPAC name of cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate (CID 59918989) is cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate.
What is the SMILES notation for cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate?
The canonical SMILES for cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate is CCCC[C@H](CN(O)C=O)C(=O)NC(C(=O)OC1CCCC1)c1ccccc1.
What is the InChIKey of cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate?
The InChIKey is RPAATDRKFBYBOT-DUSLRRAJSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-2-3-9-17(14-23(27)15-24)20(25)22-19(16-10-5-4-6-11-16)21(26)28-18-12-7-8-13-18/h4-6,10-11,15,17-19,27H,2-3,7-9,12-14H2,1H3,(H,22,25)/t17-,19?/m1/s1.
What are the key properties of cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate?
cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate has a molecular weight of 390.48 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]amino]-2-phenylacetate is sourced from PubChem (CID 59918989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).