methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate

C15H20N2O5 — CID 134034462

IUPACmethyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC
InChIInChI=1S/C15H20N2O5/c1-4-9-15(2,14(19)22-3)16-13(18)10-11-7-5-6-8-12(11)17(20)21/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyZWDLGDMZFFIBAH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.99
Rot. Bonds7

About methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate (PubChem CID 134034462) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
PubChem CID134034462
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Namemethyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC
InChIInChI=1S/C15H20N2O5/c1-4-9-15(2,14(19)22-3)16-13(18)10-11-7-5-6-8-12(11)17(20)21/h5-8H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyZWDLGDMZFFIBAH-UHFFFAOYSA-N
XLogP1.99
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.99
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-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
methyl 2-(2-nitrophenyl)acetate
CID 520464
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[(2-methyl-5-nitrobenzoyl)amino]pentanoate
CID 60565492
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate (CID 134034462) is methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate is CCCC(C)(NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate?
The InChIKey is ZWDLGDMZFFIBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-9-15(2,14(19)22-3)16-13(18)10-11-7-5-6-8-12(11)17(20)21/h5-8H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate has a molecular weight of 308.33 g/mol, XLogP of 1.99, 7 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-(2-nitrophenyl)acetyl]amino]pentanoate is sourced from PubChem (CID 134034462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).