(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

C20H29N3O5 — CID 25188984

IUPAC(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H29N3O5/c1-3-4-6-15(13-22(27)14-24)20(26)23-12-5-7-18(23)19(25)21-16-8-10-17(28-2)11-9-16/h8-11,14-15,18,27H,3-7,12-13H2,1-2H3,(H,21,25)/t15-,18+/m1/s1
InChIKeyZDTLYFGHAFYLSL-QAPCUYQASA-N
MW391.47 g/mol
LogP2.28
Rot. Bonds10

About (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 25188984) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID25188984
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C20H29N3O5/c1-3-4-6-15(13-22(27)14-24)20(26)23-12-5-7-18(23)19(25)21-16-8-10-17(28-2)11-9-16/h8-11,14-15,18,27H,3-7,12-13H2,1-2H3,(H,21,25)/t15-,18+/m1/s1
InChIKeyZDTLYFGHAFYLSL-QAPCUYQASA-N
XLogP2.28
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.28
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

(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 25189255
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(6-oxo-1H-pyridin-2-yl)pyrrolidine-2-carboxamide
CID 58763262
(2S)-N-(3-fluoro-4-morpholin-4-ylphenyl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 25188709
1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 162540477
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(5-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 58763315
(2S)-1-[(2R)-2-[[formyl(phenoxy)amino]methyl]hexanoyl]-N-(3-methoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763324
(2S)-N-(4-methoxyphenyl)-1-(3-propan-2-yloxypropanoyl)pyrrolidine-2-carboxamide
CID 94820189
N-hydroxy-N-[(2R)-2-[(2S)-2-[4-(6-methoxy-2-pyridinyl)piperazine-1-carbonyl]pyrrolidine-1-carbonyl]heptyl]formamide
CID 10390194
(2R)-N-(4-methoxyphenyl)-1-[3-(2-methylpropoxy)propanoyl]pyrrolidine-2-carboxamide
CID 39475072
(2S)-N-[(Z)-C-[(1Z)-3-fluorobuta-1,3-dienyl]-N-hydroxycarbonimidoyl]-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 138641856
(2S)-N-(4-ethyl-2-pyridinyl)-1-[(2R)-2-[[formyl(oxido)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide
CID 142946667
tert-butyl N-[4-[2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]-4-oxobutyl]carbamate
CID 55966992

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 25188984) is (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZDTLYFGHAFYLSL-QAPCUYQASA-N. The full InChI is InChI=1S/C20H29N3O5/c1-3-4-6-15(13-22(27)14-24)20(26)23-12-5-7-18(23)19(25)21-16-8-10-17(28-2)11-9-16/h8-11,14-15,18,27H,3-7,12-13H2,1-2H3,(H,21,25)/t15-,18+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 25188984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).