(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide

C22H34N4O4 — CID 59908765

IUPAC(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCN(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H34N4O4/c1-15(2)11-13-25(14-20(27)24-30)22(29)26-12-5-6-19(26)21(28)23-18-9-7-17(8-10-18)16(3)4/h7-10,15-16,19,30H,5-6,11-14H2,1-4H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeyHOSUPDMILBYESK-IBGZPJMESA-N
MW418.54 g/mol
LogP3.19
Rot. Bonds8

About (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 59908765) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID59908765
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(C)CCN(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C22H34N4O4/c1-15(2)11-13-25(14-20(27)24-30)22(29)26-12-5-6-19(26)21(28)23-18-9-7-17(8-10-18)16(3)4/h7-10,15-16,19,30H,5-6,11-14H2,1-4H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeyHOSUPDMILBYESK-IBGZPJMESA-N
XLogP3.19
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

methyl 2-[(4-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754545
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(3-methylbutyl)-1-N-(4-methylpentyl)pyrrolidine-1,2-dicarboxamide
CID 59908753
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 20757885
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(2S)-1-N-(2-cyclopentylethyl)-1-N-[2-(hydroxyamino)-2-oxoethyl]-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 59908762
N-[4-(diethylamino)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 60527411
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
2-methylpropyl 2-[(3-bromo-4-chlorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 5188630
benzyl (2S)-2-[[4-[(Z)-2-[4-[[2-[acetyl-[(2R)-2-aminopropyl]amino]acetyl]amino]phenyl]ethenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 143367124
(2S)-1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768691
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 46361390

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide (CID 59908765) is (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide is CC(C)CCN(CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is HOSUPDMILBYESK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N4O4/c1-15(2)11-13-25(14-20(27)24-30)22(29)26-12-5-6-19(26)21(28)23-18-9-7-17(8-10-18)16(3)4/h7-10,15-16,19,30H,5-6,11-14H2,1-4H3,(H,23,28)(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[2-(hydroxyamino)-2-oxoethyl]-1-N-(3-methylbutyl)-2-N-(4-propan-2-ylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 59908765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).