(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide

C19H35N3O4 — CID 87781317

IUPAC(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide
SMILESCCCC[C@H]1CNC(=O)[C@@H]1C([C@H](CC(C)(C)C)C(=O)N(C)C)N(O)C=O
InChIInChI=1S/C19H35N3O4/c1-7-8-9-13-11-20-17(24)15(13)16(22(26)12-23)14(10-19(2,3)4)18(25)21(5)6/h12-16,26H,7-11H2,1-6H3,(H,20,24)/t13-,14-,15-,16?/m0/s1
InChIKeyBPLBLJJGTLYHTL-HEHBBPHXSA-N
MW369.51 g/mol
LogP1.90
Rot. Bonds9

About (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide

(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide (PubChem CID 87781317) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide
PubChem CID87781317
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide
SMILESCCCC[C@H]1CNC(=O)[C@@H]1C([C@H](CC(C)(C)C)C(=O)N(C)C)N(O)C=O
InChIInChI=1S/C19H35N3O4/c1-7-8-9-13-11-20-17(24)15(13)16(22(26)12-23)14(10-19(2,3)4)18(25)21(5)6/h12-16,26H,7-11H2,1-6H3,(H,20,24)/t13-,14-,15-,16?/m0/s1
InChIKeyBPLBLJJGTLYHTL-HEHBBPHXSA-N
XLogP1.90
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide?
The IUPAC name of (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide (CID 87781317) is (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide.
What is the SMILES notation for (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide?
The canonical SMILES for (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide is CCCC[C@H]1CNC(=O)[C@@H]1C([C@H](CC(C)(C)C)C(=O)N(C)C)N(O)C=O.
What is the InChIKey of (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide?
The InChIKey is BPLBLJJGTLYHTL-HEHBBPHXSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-7-8-9-13-11-20-17(24)15(13)16(22(26)12-23)14(10-19(2,3)4)18(25)21(5)6/h12-16,26H,7-11H2,1-6H3,(H,20,24)/t13-,14-,15-,16?/m0/s1.
What are the key properties of (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide?
(2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide has a molecular weight of 369.51 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S,4R)-4-butyl-2-oxopyrrolidin-3-yl]-[formyl(hydroxy)amino]methyl]-N,N,4,4-tetramethylpentanamide is sourced from PubChem (CID 87781317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).