(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide

C21H31N3O4 — CID 57029258

IUPAC(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide
SMILESCNC(=O)C(CCc1ccccc1)N1CC[C@](CC(=O)NO)(CC(C)C)C1=O
InChIInChI=1S/C21H31N3O4/c1-15(2)13-21(14-18(25)23-28)11-12-24(20(21)27)17(19(26)22-3)10-9-16-7-5-4-6-8-16/h4-8,15,17,28H,9-14H2,1-3H3,(H,22,26)(H,23,25)/t17?,21-/m1/s1
InChIKeyMLKMGASHHNOSHZ-FBLFFUNLSA-N
MW389.50 g/mol
LogP1.89
Rot. Bonds9

About (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide

(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide (PubChem CID 57029258) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide
PubChem CID57029258
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide
SMILESCNC(=O)C(CCc1ccccc1)N1CC[C@](CC(=O)NO)(CC(C)C)C1=O
InChIInChI=1S/C21H31N3O4/c1-15(2)13-21(14-18(25)23-28)11-12-24(20(21)27)17(19(26)22-3)10-9-16-7-5-4-6-8-16/h4-8,15,17,28H,9-14H2,1-3H3,(H,22,26)(H,23,25)/t17?,21-/m1/s1
InChIKeyMLKMGASHHNOSHZ-FBLFFUNLSA-N
XLogP1.89
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.89
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

(2S)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 163719470
methyl 2-[(3R)-3-[(2R)-butan-2-yl]-3-methyl-2-oxopyrrolidin-1-yl]-4-phenylbutanoate
CID 58608206
2-(3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl)-4-phenylbutanoic acid
CID 67271285
(2S)-2-[(3S)-3-acetamido-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-[(2S,3S)-4-(cyclopropylmethylamino)-3-hydroxy-1-phenylbutan-2-yl]-4-phenylbutanamide
CID 68821134
(2S)-2-[(3S)-3-acetamido-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl]-N-[3-(butylamino)propyl]-4-phenylbutanamide
CID 143195539
2-[(3R)-3-acetamido-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-4-(2-cyanoethylamino)-3-hydroxy-1-phenylbutan-2-yl]-4-phenylbutanamide
CID 67558553
3-fluoro-N-[4-(hydroxyamino)-3-[(3S)-3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]benzamide
CID 149101041
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
N-[4-(hydroxyamino)-3-[3-(2-methylpropyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-4-oxobutyl]-4-phenylbenzamide
CID 19705571
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2S)-2-[(3R)-3-formamido-3-methyl-2-oxopyrrolidin-1-yl]-N-[3-[(3-methoxyphenyl)methylamino]propyl]-4-phenylbutanamide
CID 142858617
(2S)-2-[(3R)-3-acetamido-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl]-4-phenylbutanamide
CID 67272071

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide?
The IUPAC name of (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide (CID 57029258) is (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide?
The canonical SMILES for (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide is CNC(=O)C(CCc1ccccc1)N1CC[C@](CC(=O)NO)(CC(C)C)C1=O.
What is the InChIKey of (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide?
The InChIKey is MLKMGASHHNOSHZ-FBLFFUNLSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-15(2)13-21(14-18(25)23-28)11-12-24(20(21)27)17(19(26)22-3)10-9-16-7-5-4-6-8-16/h4-8,15,17,28H,9-14H2,1-3H3,(H,22,26)(H,23,25)/t17?,21-/m1/s1.
What are the key properties of (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide?
(2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide has a molecular weight of 389.50 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-[2-(hydroxyamino)-2-oxoethyl]-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 57029258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).