methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate

C15H20N2O5 — CID 60565492

IUPACmethyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC
InChIInChI=1S/C15H20N2O5/c1-5-8-15(3,14(19)22-4)16-13(18)12-9-11(17(20)21)7-6-10(12)2/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyLJVNJVDMVZNRHL-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.36
Rot. Bonds6

About methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate

methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate (PubChem CID 60565492) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
PubChem CID60565492
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namemethyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
SMILESCCCC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC
InChIInChI=1S/C15H20N2O5/c1-5-8-15(3,14(19)22-4)16-13(18)12-9-11(17(20)21)7-6-10(12)2/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyLJVNJVDMVZNRHL-UHFFFAOYSA-N
XLogP2.36
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-(2-methyl-4-nitroanilino)pentanoate
CID 62004558
methyl 2-methyl-2-[(5-nitro-1H-indazole-3-carbonyl)amino]pentanoate
CID 60582343
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
methyl 2-methyl-2-(3-methyl-5-nitroanilino)pentanoate
CID 115981661
2-fluoro-N-(2-methylpentan-2-yl)-5-nitrobenzamide
CID 52804730
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
methyl 2-[(4-chloro-3-methylbenzoyl)amino]-2-methylpentanoate
CID 115694595
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate (CID 60565492) is methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate is CCCC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate?
The InChIKey is LJVNJVDMVZNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-5-8-15(3,14(19)22-4)16-13(18)12-9-11(17(20)21)7-6-10(12)2/h6-7,9H,5,8H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate?
methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate has a molecular weight of 308.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate is sourced from PubChem (CID 60565492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).